 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=11_L-cysteine_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-65377.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     65378.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.038368000000      0.050355000000      0.973144000000
  S                                                -1.995843000000     -0.295319000000     -0.543653000000
  C                                                 0.363508000000      0.594497000000      0.695573000000
  N                                                 0.423962000000      1.801216000000     -0.127846000000
  C                                                 1.257054000000     -0.497668000000      0.075532000000
  O                                                 1.175185000000     -1.658561000000      0.374863000000
  O                                                 2.147652000000     -0.028506000000     -0.799987000000
  H                                                 0.830827000000      0.823589000000      1.659371000000
  H                                                -0.978162000000     -0.853759000000      1.573271000000
  H                                                -1.621949000000      0.791783000000      1.518928000000
  H                                                 1.947126000000      0.931990000000     -0.883214000000
  H                                                -0.300279000000      1.767801000000     -0.840577000000
  H                                                 0.299163000000      2.642352000000      0.418972000000
  H                                                -1.286825000000     -1.373729000000     -0.917887000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299163    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.826724   0.000000
     3  C    1.529180   2.809625   0.000000
     4  N    2.533003   3.228593   1.462137   0.000000
     5  C    2.524876   3.317480   1.541330   2.453624   0.000000
     6  O    2.859747   3.571767   2.416184   3.575907   1.201655
     7  O    3.647045   4.159982   2.409980   2.602069   1.334096
     8  H    2.136045   3.754375   1.095343   2.077363   2.106166
     9  H    1.086830   2.414311   2.160527   3.450890   2.714077
    10  H    1.090029   2.361319   2.158443   2.813640   3.469111
    11  H    3.624434   4.143500   2.261485   1.909493   1.854539
    12  H    2.604607   2.686925   2.043774   1.016675   2.897739
    13  H    2.968930   3.850144   2.067452   1.010987   3.300793
    14  H    2.380282   1.343773   3.033276   3.692050   2.868045
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.232273   0.000000
     8  H    2.815957   2.916939   0.000000
     9  H    2.592449   4.010500   2.468471   0.000000
    10  H    3.890634   4.501126   2.456999   1.767830   0.000000
    11  H    2.981544   0.984728   2.778959   4.216696   4.304444
    12  H    3.923550   3.036566   2.901840   3.627501   2.875185
    13  H    4.389443   3.469331   2.264764   3.897019   2.885339
    14  H    2.795322   3.690414   3.994360   2.563496   3.277166
                   11         12         13         14
    11  H    0.000000
    12  H    2.398172   0.000000
    13  H    2.708654   1.646400   0.000000
    14  H    3.971899   3.293700   4.520117   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299162    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0883872           1.5855371           1.3175751
 Leave Link  202 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       385.8531241237 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0234583604 Hartrees.
 Nuclear repulsion after empirical dispersion term =      385.8296657633 Hartrees.
 Leave Link  301 at Thu Aug 12 19:35:18 2021, MaxMem=  5368709120 cpu:              10.4 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.98D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -722.029303662339    
 DIIS: error= 6.18D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -722.029303662339     IErMin= 1 ErrMin= 6.18D-03
 ErrMax= 6.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-03 BMatP= 6.13D-03
 IDIUse=3 WtCom= 9.38D-01 WtEn= 6.18D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.245 Goal=   None    Shift=    0.000
 GapD=    0.245 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.96D-03 MaxDP=2.83D-01              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.95D-03    CP:  9.92D-01
 E= -722.034216018136     Delta-E=       -0.004912355797 Rises=F Damp=F
 DIIS: error= 4.43D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -722.034216018136     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 4.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-04 BMatP= 6.13D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.43D-03
 Coeff-Com:  0.172D-01 0.983D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.172D-01 0.983D+00
 Gap=     0.227 Goal=   None    Shift=    0.000
 RMSDP=4.13D-04 MaxDP=1.60D-02 DE=-4.91D-03 OVMax= 4.35D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.05D-04    CP:  9.90D-01  1.03D+00
 E= -722.034098455446     Delta-E=        0.000117562690 Rises=F Damp=F
 DIIS: error= 6.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -722.034216018136     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 6.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-04 BMatP= 1.36D-04
 IDIUse=3 WtCom= 2.79D-01 WtEn= 7.21D-01
 Coeff-Com: -0.798D-02 0.610D+00 0.398D+00
 Coeff-En:   0.000D+00 0.655D+00 0.345D+00
 Coeff:     -0.223D-02 0.642D+00 0.360D+00
 Gap=     0.227 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=5.88D-03 DE= 1.18D-04 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.59D-05    CP:  9.90D-01  1.04D+00  8.46D-01
 E= -722.034328732384     Delta-E=       -0.000230276938 Rises=F Damp=F
 DIIS: error= 8.30D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -722.034328732384     IErMin= 4 ErrMin= 8.30D-05
 ErrMax= 8.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-06 BMatP= 1.36D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.487D-02 0.251D+00 0.150D+00 0.603D+00
 Coeff:     -0.487D-02 0.251D+00 0.150D+00 0.603D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.80D-05 MaxDP=9.92D-04 DE=-2.30D-04 OVMax= 9.30D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.19D-05    CP:  9.90D-01  1.04D+00  8.78D-01  1.07D+00
 E= -722.034331340927     Delta-E=       -0.000002608543 Rises=F Damp=F
 DIIS: error= 4.81D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -722.034331340927     IErMin= 5 ErrMin= 4.81D-05
 ErrMax= 4.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-06 BMatP= 4.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.191D-02 0.580D-01 0.315D-01 0.397D+00 0.516D+00
 Coeff:     -0.191D-02 0.580D-01 0.315D-01 0.397D+00 0.516D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=9.47D-06 MaxDP=5.39D-04 DE=-2.61D-06 OVMax= 5.31D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.40D-06    CP:  9.90D-01  1.04D+00  8.85D-01  1.09D+00  7.73D-01
 E= -722.034332618117     Delta-E=       -0.000001277190 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -722.034332618117     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-07 BMatP= 1.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.545D-03 0.584D-02 0.255D-02 0.161D+00 0.293D+00 0.538D+00
 Coeff:     -0.545D-03 0.584D-02 0.255D-02 0.161D+00 0.293D+00 0.538D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.97D-06 MaxDP=1.26D-04 DE=-1.28D-06 OVMax= 1.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.46D-06    CP:  9.90D-01  1.04D+00  8.87D-01  1.09D+00  7.49D-01
                    CP:  7.95D-01
 E= -722.034332737322     Delta-E=       -0.000000119205 Rises=F Damp=F
 DIIS: error= 3.09D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -722.034332737322     IErMin= 7 ErrMin= 3.09D-06
 ErrMax= 3.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.52D-09 BMatP= 1.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.995D-04-0.184D-02-0.103D-02 0.467D-01 0.101D+00 0.270D+00
 Coeff-Com:  0.585D+00
 Coeff:     -0.995D-04-0.184D-02-0.103D-02 0.467D-01 0.101D+00 0.270D+00
 Coeff:      0.585D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.11D-06 MaxDP=3.70D-05 DE=-1.19D-07 OVMax= 1.93D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.96D-07    CP:  9.90D-01  1.04D+00  8.89D-01  1.10D+00  7.63D-01
                    CP:  8.03D-01  7.99D-01
 E= -722.034332745364     Delta-E=       -0.000000008043 Rises=F Damp=F
 DIIS: error= 7.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -722.034332745364     IErMin= 8 ErrMin= 7.24D-07
 ErrMax= 7.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-10 BMatP= 8.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-05-0.121D-02-0.625D-03 0.626D-02 0.180D-01 0.701D-01
 Coeff-Com:  0.233D+00 0.674D+00
 Coeff:     -0.223D-05-0.121D-02-0.625D-03 0.626D-02 0.180D-01 0.701D-01
 Coeff:      0.233D+00 0.674D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.74D-07 MaxDP=1.25D-05 DE=-8.04D-09 OVMax= 8.38D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.89D-07    CP:  9.90D-01  1.04D+00  8.89D-01  1.10D+00  7.65D-01
                    CP:  8.16D-01  8.29D-01  8.56D-01
 E= -722.034332745691     Delta-E=       -0.000000000327 Rises=F Damp=F
 DIIS: error= 3.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -722.034332745691     IErMin= 9 ErrMin= 3.57D-07
 ErrMax= 3.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.24D-11 BMatP= 3.83D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.836D-05-0.461D-03-0.225D-03-0.109D-02-0.270D-04 0.115D-01
 Coeff-Com:  0.666D-01 0.361D+00 0.563D+00
 Coeff:      0.836D-05-0.461D-03-0.225D-03-0.109D-02-0.270D-04 0.115D-01
 Coeff:      0.666D-01 0.361D+00 0.563D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=7.65D-08 MaxDP=3.37D-06 DE=-3.27D-10 OVMax= 3.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.19D-08    CP:  9.90D-01  1.04D+00  8.89D-01  1.10D+00  7.64D-01
                    CP:  8.17D-01  8.36D-01  8.85D-01  7.53D-01
 E= -722.034332745792     Delta-E=       -0.000000000101 Rises=F Damp=F
 DIIS: error= 5.10D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -722.034332745792     IErMin=10 ErrMin= 5.10D-08
 ErrMax= 5.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-12 BMatP= 7.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.297D-05-0.101D-03-0.447D-04-0.654D-03-0.884D-03 0.838D-03
 Coeff-Com:  0.142D-01 0.986D-01 0.204D+00 0.684D+00
 Coeff:      0.297D-05-0.101D-03-0.447D-04-0.654D-03-0.884D-03 0.838D-03
 Coeff:      0.142D-01 0.986D-01 0.204D+00 0.684D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.37D-08 MaxDP=5.02D-07 DE=-1.01D-10 OVMax= 3.53D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.17D-08    CP:  9.90D-01  1.04D+00  8.89D-01  1.10D+00  7.64D-01
                    CP:  8.18D-01  8.37D-01  8.86D-01  7.70D-01  9.32D-01
 E= -722.034332745794     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -722.034332745794     IErMin=11 ErrMin= 1.40D-08
 ErrMax= 1.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-13 BMatP= 1.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.647D-06-0.886D-05-0.279D-05-0.218D-03-0.455D-03-0.680D-03
 Coeff-Com:  0.105D-02 0.146D-01 0.483D-01 0.312D+00 0.625D+00
 Coeff:      0.647D-06-0.886D-05-0.279D-05-0.218D-03-0.455D-03-0.680D-03
 Coeff:      0.105D-02 0.146D-01 0.483D-01 0.312D+00 0.625D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=5.03D-09 MaxDP=1.84D-07 DE=-1.36D-12 OVMax= 1.17D-07

 SCF Done:  E(RB3LYP) =  -722.034332746     A.U. after   11 cycles
            NFock= 11  Conv=0.50D-08     -V/T= 2.0040
 KE= 7.191554329727D+02 PE=-2.475797935162D+03 EE= 6.487785036802D+02
 Leave Link  502 at Thu Aug 12 19:35:50 2021, MaxMem=  5368709120 cpu:             248.1 elap:              31.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.53826176D+02

 Leave Link  801 at Thu Aug 12 19:35:51 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 2.91D-01 1.25D-01.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 3.83D-02 2.78D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 3.18D-03 1.04D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 9.42D-05 1.73D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 1.96D-06 2.23D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 2.35D-08 2.04D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 2.67D-10 2.37D-06.
      8 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.31D-12 1.33D-07.
      3 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 6.15D-15 9.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.06D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.819934D+02
      2  0.343970D+01  0.788857D+02
      3 -0.393750D+00 -0.332149D+00  0.706239D+02
 Isotropic polarizability for W=    0.088559       77.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.643620D+02 -0.248089D+02 -0.389916D+02
      2   0.324720D+02  0.200316D+02  0.123451D+02
      3   0.318900D+02  0.477727D+01  0.266465D+02
      4  -0.155781D+01 -0.126367D+02 -0.131690D+02
      5  -0.246891D+02 -0.145742D+02 -0.422333D+02
      6  -0.305712D+01  0.967197D+01  0.147730D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.327105D+00 -0.271108D+01 -0.436593D+01
      2  -0.179707D+02 -0.719741D+01 -0.298035D+02
      3   0.158213D+02  0.856129D+01  0.689772D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.140521D+01 -0.267316D+01 -0.999574D+01
      2  -0.143025D+02 -0.101119D+02 -0.741233D+02
      3   0.232511D+02  0.451088D+02  0.115171D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.501148D+00  0.304847D+01 -0.120692D+01
      2   0.304847D+01  0.108445D+01  0.168375D+01
      3  -0.120692D+01  0.168375D+01 -0.555883D+00
 OR G Eigenvalues:    -4.0133     0.4980     3.5427  Iso=    -0.0091
 Eigenvectors:
   (1)   0.658700  -0.559909   0.502609
   (2)  -0.501388   0.171427   0.848070
   (3)   0.561003   0.810626   0.167813
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0091 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =       -3.83 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 5.32D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.44D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 4.00D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.74D-02 2.34D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 4.20D-04 2.77D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 2.50D-06 3.60D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.83D-08 1.62D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 4.52D-11 8.89D-07.
     26 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 1.11D-13 3.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   206 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 7.87D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 7.87D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.819934D+02  0.343970D+01 -0.393750D+00
      2   0.343970D+01  0.788857D+02 -0.332149D+00
      3  -0.393750D+00 -0.332149D+00  0.706239D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.327105D+00 -0.271108D+01 -0.436593D+01
      2  -0.179707D+02 -0.719741D+01 -0.298035D+02
      3   0.158213D+02  0.856129D+01  0.689772D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.643620D+02 -0.248089D+02 -0.389916D+02
      2   0.324720D+02  0.200316D+02  0.123451D+02
      3   0.318900D+02  0.477727D+01  0.266465D+02
      4  -0.155781D+01 -0.126367D+02 -0.131690D+02
      5  -0.246891D+02 -0.145742D+02 -0.422333D+02
      6  -0.305712D+01  0.967197D+01  0.147730D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.648270D+00 -0.116080D+01  0.232552D+01 -0.108047D+01  0.126681D+01
      2  -0.116080D+01  0.115133D+01  0.251715D+01  0.126681D+01  0.654486D-01
      3   0.232552D+01  0.251715D+01  0.442682D+01  0.269235D+01 -0.386664D+01
                 6             7             8             9            10 
      1   0.269235D+01  0.564047D+01  0.373129D+01  0.450488D+01 -0.905027D+01
      2  -0.386664D+01  0.373129D+01 -0.812451D+00  0.161119D+01  0.485420D+00
      3   0.304811D+01  0.450488D+01  0.161119D+01  0.259243D+01 -0.278472D+01
                11            12            13            14            15 
      1   0.485420D+00 -0.278472D+01  0.281673D+01 -0.429699D+01 -0.833163D+00
      2  -0.410119D+01 -0.515864D+00 -0.429699D+01  0.237767D+01  0.335791D+00
      3  -0.515864D+00 -0.441422D+01 -0.833163D+00  0.335791D+00  0.245598D+00
                16            17            18            19            20 
      1  -0.467211D+01 -0.200540D+01 -0.582207D+01 -0.317272D+00  0.248446D+01
      2  -0.200540D+01  0.475053D+00 -0.944500D+00  0.248446D+01 -0.140534D+01
      3  -0.582207D+01 -0.944500D+00 -0.714121D+01 -0.238463D+01 -0.227004D+01
                21            22            23            24            25 
      1  -0.238463D+01  0.142431D+01 -0.194939D+01 -0.137571D+01 -0.349520D+01
      2  -0.227004D+01 -0.194939D+01 -0.663168D+00  0.163789D+01 -0.238376D+01
      3  -0.227351D+01 -0.137571D+01  0.163789D+01 -0.786800D+00 -0.402117D+01
                26            27            28            29            30 
      1  -0.238376D+01 -0.402117D+01  0.177408D+01  0.100166D+01  0.136433D+01
      2   0.403585D+00 -0.199891D+01  0.100166D+01  0.379852D+01  0.558486D-01
      3  -0.199891D+01 -0.477596D+01  0.136433D+01  0.558486D-01  0.137200D+01
                31            32            33            34            35 
      1   0.750743D+00  0.299570D+01 -0.104449D+00  0.214696D+01  0.761164D+00
      2   0.299570D+01 -0.135309D+01 -0.326150D+01  0.761164D+00 -0.312267D+01
      3  -0.104449D+00 -0.326150D+01  0.301446D-01  0.180376D+01 -0.151421D+00
                36            37            38            39            40 
      1   0.180376D+01  0.865845D+00 -0.183812D+01  0.896298D+00 -0.802702D+00
      2  -0.151421D+00 -0.183812D+01  0.235810D+01  0.939697D+00  0.557719D+00
      3   0.183627D-01  0.896298D+00  0.939697D+00  0.673597D+00  0.117230D+01
                41            42            43            44            45 
      1   0.557719D+00  0.117230D+01 -0.108683D+01  0.167253D+01 -0.240323D+00
      2   0.524920D+01 -0.220213D+01  0.167253D+01 -0.344667D+01  0.125816D+00
      3  -0.220213D+01 -0.237271D-01 -0.240323D+00  0.125816D+00 -0.914461D-01
                46            47            48            49            50 
      1  -0.649321D+00 -0.265147D+01  0.574140D+00 -0.359322D+01  0.103205D+01
      2  -0.265147D+01  0.238284D+00 -0.611138D+00  0.103205D+01 -0.125290D+02
      3   0.574140D+00 -0.611138D+00 -0.251650D+00 -0.234202D+00  0.239339D+01
                51            52            53            54            55 
      1  -0.234202D+00  0.148409D+01 -0.723221D+00  0.240567D+00  0.585212D+01
      2   0.239339D+01 -0.723221D+00  0.196017D+01 -0.287657D+01  0.452235D+00
      3  -0.243986D+01  0.240567D+00 -0.287657D+01  0.203634D+01 -0.252825D+01
                56            57            58            59            60 
      1   0.452235D+00 -0.252825D+01 -0.211911D+01  0.309449D+01  0.746097D+00
      2   0.599195D+00 -0.244164D+00  0.309449D+01 -0.407431D+01 -0.599920D+00
      3  -0.244164D+00  0.119243D+01  0.746097D+00 -0.599920D+00 -0.606908D+00
                61            62            63            64            65 
      1  -0.172735D+01 -0.396418D+00  0.244059D+01  0.243375D+01  0.301719D+00
      2  -0.396418D+00  0.891838D+00  0.261616D+00  0.301719D+00  0.825731D+00
      3   0.244059D+01  0.261616D+00 -0.321236D+01  0.253557D+01  0.980425D+00
                66            67            68            69            70 
      1   0.253557D+01  0.276676D+00  0.125798D+01  0.827858D+00  0.368826D+01
      2   0.980425D+00  0.125798D+01  0.161692D+01  0.138834D+01  0.115503D+01
      3   0.237046D+01  0.827858D+00  0.138834D+01  0.117978D+01  0.343883D+01
                71            72            73            74            75 
      1   0.115503D+01  0.343883D+01  0.532448D+00 -0.687915D+00  0.647118D+00
      2   0.174614D+01  0.208426D+01 -0.687915D+00 -0.423349D+00 -0.788504D-01
      3   0.208426D+01  0.788185D+01  0.647118D+00 -0.788504D-01 -0.256801D+00
                76            77            78            79            80 
      1  -0.193194D+01 -0.504648D+00 -0.702909D+00  0.524957D+00 -0.729945D-01
      2  -0.504648D+00 -0.370723D+01  0.293723D+01 -0.729945D-01  0.188171D+01
      3  -0.702909D+00  0.293723D+01 -0.476792D+01 -0.260888D+00 -0.234059D+01
                81            82            83            84            85 
      1  -0.260888D+00 -0.279400D+01  0.144518D+01  0.152240D+01  0.230476D+01
      2  -0.234059D+01  0.144518D+01 -0.147647D+01 -0.149917D+01 -0.157888D+01
      3   0.431181D+01  0.152240D+01 -0.149917D+01 -0.281090D+01 -0.132578D+01
                86            87            88            89            90 
      1  -0.157888D+01 -0.132578D+01  0.104204D+01 -0.101411D+01 -0.219150D+01
      2   0.323369D+01  0.274098D+01 -0.101411D+01  0.146134D+01  0.160122D+01
      3   0.274098D+01  0.264386D+01 -0.219150D+01  0.160122D+01  0.315475D+01
                91            92            93            94            95 
      1   0.111618D+01  0.161858D+01 -0.968598D-01  0.381480D+01 -0.100958D+01
      2   0.161858D+01 -0.247186D+00 -0.376127D+00 -0.100958D+01  0.507583D+01
      3  -0.968598D-01 -0.376127D+00  0.372341D+00 -0.144861D+01 -0.540751D+00
                96            97            98            99           100 
      1  -0.144861D+01 -0.567181D+00 -0.475511D+00  0.853241D+00 -0.257022D+01
      2  -0.540751D+00 -0.475511D+00 -0.803203D+00  0.707496D+00 -0.607076D+00
      3   0.155616D+01  0.853241D+00  0.707496D+00 -0.158813D+01 -0.167007D+01
               101           102           103           104           105 
      1  -0.607076D+00 -0.167007D+01 -0.547601D+00 -0.128940D+01  0.228800D+00
      2  -0.275765D+01  0.405358D+00 -0.128940D+01  0.441622D+00 -0.595405D+00
      3   0.405358D+00 -0.138235D+01  0.228800D+00 -0.595405D+00  0.493234D+00
               106           107           108           109           110 
      1  -0.375675D+01 -0.692715D+00 -0.104432D+01  0.374980D+00  0.741386D+00
      2  -0.692715D+00 -0.250879D+01  0.119055D+01  0.741386D+00 -0.122395D+01
      3  -0.104432D+01  0.119055D+01 -0.301513D+01 -0.451210D-01 -0.413734D-01
               111           112           113           114           115 
      1  -0.451210D-01  0.171725D+01 -0.112177D+01 -0.261737D+00  0.845535D+00
      2  -0.413734D-01 -0.112177D+01  0.991652D+01  0.225108D+01 -0.169125D-01
      3   0.706167D-01 -0.261737D+00  0.225108D+01  0.166648D+01 -0.739509D-01
               116           117           118           119           120 
      1  -0.169125D-01 -0.739509D-01  0.178341D+01 -0.158527D+01 -0.355726D+00
      2   0.446557D+01  0.205611D+01 -0.158527D+01  0.266399D+01  0.738247D+00
      3   0.205611D+01  0.149905D+01 -0.355726D+00  0.738247D+00  0.911164D+00
               121           122           123           124           125 
      1  -0.303023D+01  0.154591D+01  0.619164D+00 -0.668904D-01  0.461027D+00
      2   0.154591D+01 -0.565006D+01 -0.261836D+01  0.461027D+00 -0.259162D+01
      3   0.619164D+00 -0.261836D+01 -0.223816D+01  0.372357D+00 -0.132627D+01
               126 
      1   0.372357D+00
      2  -0.132627D+01
      3  -0.167035D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.359390D+01  0.491652D+00  0.543721D+01 -0.187561D+01 -0.117131D+01
      2   0.742802D+01  0.205266D+01 -0.514817D+01  0.181105D+01  0.292322D+01
      3  -0.226318D+01  0.159336D+01  0.139859D+01  0.833941D+01  0.557432D+01
                 6             7             8             9            10 
      1  -0.104869D+02  0.385063D+01 -0.147966D+01  0.507225D+01 -0.356054D+01
      2  -0.869278D+01 -0.133424D+02 -0.491117D+01 -0.110533D+02  0.116912D+02
      3  -0.335913D+01  0.353952D+01 -0.268334D+00  0.225534D+01  0.345786D+01
                11            12            13            14            15 
      1   0.124788D+01 -0.388630D+01 -0.190909D+01 -0.645598D+01 -0.118503D+02
      2   0.630218D+01  0.229022D+02  0.678563D+01 -0.858078D+00  0.325399D+00
      3  -0.188062D+02 -0.245062D+01 -0.535896D+00  0.100657D+02  0.320534D+01
                16            17            18            19            20 
      1   0.185448D+00  0.533376D+01 -0.955193D+00  0.476706D+01  0.123080D+00
      2   0.131357D+01 -0.405386D+00  0.106501D+02 -0.675933D+01 -0.441917D+01
      3  -0.398845D+01  0.342893D+01  0.870081D+00 -0.114172D+01 -0.262975D+01
                21            22            23            24            25 
      1  -0.961743D+00 -0.269084D+00 -0.167052D+01  0.227866D+01  0.911107D+00
      2   0.149180D+01 -0.724727D+01 -0.178186D-01 -0.167656D+01 -0.778576D+00
      3  -0.104027D+01  0.350480D+01  0.419973D+01  0.601154D+00  0.141583D+01
                26            27            28            29            30 
      1   0.733940D+01 -0.188767D+01 -0.663098D+01 -0.402400D+01 -0.404640D+01
      2  -0.239312D+01  0.664960D+00  0.348448D+01 -0.254144D+00  0.777851D+01
      3  -0.184922D+01 -0.810507D+00  0.592221D+01 -0.500738D+01  0.478129D+01
                31            32            33            34            35 
      1  -0.160809D+01  0.126572D+02 -0.316098D+01 -0.600919D+01  0.499659D+01
      2   0.215236D+01 -0.247067D+01  0.684453D+00  0.119496D+01  0.251585D+01
      3   0.382733D+01  0.468643D+01  0.249396D+01  0.576855D+01  0.724587D+01
                36            37            38            39            40 
      1   0.123335D+01 -0.747062D+00  0.343773D+01  0.135001D+01  0.313874D+01
      2  -0.120781D+01 -0.151660D+02  0.401138D+01 -0.824282D+00 -0.109543D+01
      3   0.354163D+01  0.870774D+01 -0.680137D+01 -0.122083D+01 -0.102515D+02
                41            42            43            44            45 
      1   0.147321D+01  0.622982D+01 -0.270129D+01  0.702344D+01 -0.245440D+01
      2   0.131208D+01  0.291483D+01 -0.152848D+02  0.355799D+01  0.993007D+01
      3  -0.109733D+02 -0.871748D+00  0.217122D+01 -0.173409D+01  0.710329D+00
                46            47            48            49            50 
      1   0.943936D+00 -0.575931D+00  0.363879D+00  0.121177D+01 -0.248904D+01
      2   0.350486D+01 -0.233558D+01  0.275116D+01  0.247197D+01 -0.318770D+00
      3   0.388823D+01 -0.137274D+01  0.101871D+01  0.154546D+02  0.179214D+02
                51            52            53            54            55 
      1  -0.117906D+02  0.294326D+00  0.381164D+00  0.227934D+01  0.124480D+00
      2  -0.494325D+01 -0.132888D+00 -0.526340D+01  0.839761D+00  0.262495D+01
      3  -0.217834D+01 -0.131374D+01 -0.111637D+01  0.468244D+01 -0.151353D+01
                56            57            58            59            60 
      1  -0.418995D+01 -0.154933D+01 -0.425779D+01  0.906539D+01 -0.306117D+01
      2  -0.208120D+01  0.718135D+01 -0.803052D+00  0.104998D+01 -0.181339D+01
      3  -0.919839D+01  0.107359D+01 -0.691229D+01  0.176344D+02  0.154803D+01
                61            62            63            64            65 
      1   0.136488D+01  0.259380D+01  0.278110D+00 -0.796108D+00  0.144745D+01
      2   0.531491D+01 -0.136324D+01 -0.103790D+02 -0.161532D+01 -0.456502D+00
      3  -0.582636D+00  0.216427D+01 -0.136513D+01  0.122088D+01 -0.170104D+01
                66            67            68            69            70 
      1  -0.736876D+00  0.928686D+00  0.234305D+01 -0.778428D+00 -0.113409D+00
      2   0.143688D+00  0.707587D+00 -0.102480D+01  0.568581D+00 -0.484877D+01
      3   0.146218D+01  0.634057D+00 -0.125220D+01 -0.165149D+00  0.124329D+01
                71            72            73            74            75 
      1   0.248530D+01 -0.220873D+01 -0.723455D+00  0.755912D+00 -0.638841D+00
      2  -0.413370D+00  0.431860D+00 -0.375515D+01  0.654662D+00  0.518057D+00
      3  -0.873786D+00  0.856601D+00 -0.138489D+01 -0.827467D+00 -0.369390D+00
                76            77            78            79            80 
      1   0.422802D+00 -0.614011D+01  0.376182D+01 -0.150826D-01  0.559932D+01
      2   0.431209D+01 -0.292886D+01  0.609947D+01 -0.256048D+01  0.213847D+01
      3   0.190841D+01 -0.592826D+01  0.413684D+01 -0.588322D+00  0.211372D+01
                81            82            83            84            85 
      1  -0.379771D+01  0.195122D+01 -0.173317D+01 -0.984477D+00 -0.148945D+01
      2  -0.280152D+01  0.165696D+01 -0.769490D-01  0.308470D+01 -0.296730D+01
      3  -0.282685D+01  0.100824D+01 -0.351822D+01 -0.198136D+01  0.455430D+00
                86            87            88            89            90 
      1   0.385187D+01  0.130223D+01 -0.919385D+00  0.375070D+01  0.234648D+00
      2  -0.123271D+01 -0.174320D+01 -0.890008D+00 -0.683872D+00 -0.635834D+00
      3   0.387108D+01  0.314961D+01 -0.575038D+00  0.183991D+01  0.137737D+01
                91            92            93            94            95 
      1  -0.139277D+01  0.347359D+01 -0.114831D+01  0.431543D+01 -0.102830D+02
      2  -0.202847D+01  0.100807D+01 -0.371105D-01  0.113934D+01 -0.383580D+01
      3  -0.930478D+00  0.394924D+01  0.796144D+00  0.857364D+01 -0.206267D+02
                96            97            98            99           100 
      1   0.270574D+00 -0.966113D+00  0.201718D+01  0.837315D+00  0.697859D+01
      2   0.355105D+01 -0.114855D+01  0.187210D+01 -0.875365D+00 -0.495343D+01
      3   0.175137D+00 -0.203350D+00  0.314929D+00 -0.228719D+00 -0.991392D+01
               101           102           103           104           105 
      1   0.244425D+01  0.551901D+01  0.154424D+01  0.155516D+01 -0.494926D+00
      2  -0.111950D+01 -0.274857D+01 -0.205690D+01 -0.246112D+01 -0.651288D+00
      3  -0.376690D+01 -0.461927D+01 -0.146487D+01 -0.227613D+01  0.553777D+00
               106           107           108           109           110 
      1   0.569245D+01  0.131703D+01  0.573619D+01  0.930473D+00  0.702584D+00
      2  -0.684555D+01 -0.212741D+01 -0.119662D+01  0.242061D+00  0.158594D+00
      3  -0.103147D+02 -0.162505D+01 -0.299695D+01 -0.203698D+00  0.125734D+01
               111           112           113           114           115 
      1   0.225370D+00  0.139461D+01 -0.784310D+01 -0.647356D+01  0.279256D+00
      2   0.659504D-01 -0.700192D-01  0.236406D+01  0.993871D+00 -0.476477D+00
      3  -0.423837D+00  0.701223D+01 -0.816483D+01 -0.277665D+01  0.285582D+01
               116           117           118           119           120 
      1  -0.524398D+01 -0.434504D+01  0.174906D+01 -0.360108D+01  0.105678D+01
      2   0.201542D+01  0.108021D+01  0.344984D+01 -0.361007D+01 -0.184739D+01
      3  -0.335473D+01 -0.189263D+01 -0.857387D+01  0.738589D+01  0.174082D+01
               121           122           123           124           125 
      1  -0.135184D+01  0.527273D+01 -0.105816D+01 -0.133483D+00  0.332957D+01
      2  -0.514006D+01  0.749929D+01  0.438283D+01 -0.251373D+01  0.374197D+01
      3   0.104534D+02 -0.130126D+02 -0.671089D+01  0.572055D+00 -0.628605D+01
               126 
      1  -0.188225D+00
      2   0.475060D+01
      3  -0.417301D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.632310D+01 -0.535814D+00 -0.523432D+01 -0.233982D+01  0.675243D+01
      2  -0.529240D+00 -0.508943D+01  0.636579D+01 -0.174114D+01  0.129968D+01
      3   0.685234D+01  0.562525D+01 -0.113146D+01  0.408095D+01 -0.805211D+01
      4   0.350765D+01 -0.639280D+01 -0.575569D+01 -0.241720D+01  0.334555D+01
      5  -0.308068D+01 -0.863825D+01 -0.174940D+02 -0.126640D+02  0.131256D+02
      6  -0.292122D+01  0.430893D+01  0.417035D+01  0.628298D+01  0.157999D+01
                 6             7             8             9            10 
      1  -0.916198D+01 -0.250315D+02 -0.115656D+02 -0.841444D+01  0.593597D+02
      2   0.479998D+01  0.109153D+02  0.124776D+01  0.562878D+01 -0.324362D+02
      3   0.436199D+01  0.141162D+02  0.103179D+02  0.278566D+01 -0.269234D+02
      4   0.900180D+01 -0.148547D+02 -0.197322D+01  0.118357D+01  0.646795D+01
      5  -0.415817D+01 -0.160929D+02 -0.107019D+00 -0.748822D+01  0.158380D+02
      6  -0.125493D+02  0.357765D+01 -0.100448D+02  0.248292D+01 -0.749430D+00
                11            12            13            14            15 
      1  -0.301195D+01  0.644825D+01 -0.160695D+02  0.135842D+02  0.523110D+01
      2   0.726208D+01 -0.641302D+01  0.157373D+02  0.563129D+01 -0.644755D+01
      3  -0.425013D+01 -0.352329D-01  0.332137D+00 -0.192154D+02  0.121645D+01
      4   0.287409D+02  0.145724D+01  0.334839D+02  0.221672D+01  0.142548D+01
      5  -0.138696D+00  0.349265D+02  0.148248D+01  0.217376D+01  0.332525D+01
      6   0.763694D+01  0.435910D+01  0.572315D+01 -0.884295D+01  0.115552D+02
                16            17            18            19            20 
      1   0.110056D+02  0.877207D+01  0.101674D+02  0.467739D-01  0.776431D+01
      2  -0.118872D+02 -0.546952D+01 -0.256763D+02  0.959661D+01 -0.280086D+01
      3   0.881663D+00 -0.330255D+01  0.155090D+02 -0.964339D+01 -0.496345D+01
      4   0.690567D+01 -0.196044D+01  0.454093D+01  0.299814D+01  0.176671D+01
      5   0.398967D+02  0.780892D+01  0.283519D+02 -0.423783D+01 -0.113914D+01
      6   0.733183D+01  0.100807D+02 -0.525485D+00 -0.453628D+01 -0.615610D+01
                21            22            23            24            25 
      1   0.788278D+01  0.234164D+00 -0.888968D+00  0.646309D+00  0.148061D+02
      2   0.197282D+01  0.239558D+01 -0.241481D+01  0.276715D+01 -0.179412D+01
      3  -0.985560D+01 -0.262975D+01  0.330378D+01 -0.341346D+01 -0.130120D+02
      4  -0.364063D+01 -0.649124D+01 -0.878353D+01  0.223950D+01  0.583036D+01
      5  -0.681319D+01  0.331313D+01 -0.965655D+00 -0.834297D+01 -0.356504D+01
      6  -0.709576D+01 -0.228338D+01  0.196590D+01 -0.305461D+01 -0.600585D+01
                26            27            28            29            30 
      1   0.278192D+01  0.898833D+01  0.695770D+01 -0.125783D+02  0.244367D+00
      2   0.107257D+02  0.630988D+01 -0.465439D+00  0.170371D+02  0.410298D+00
      3  -0.135076D+02 -0.152982D+02 -0.649226D+01 -0.445884D+01 -0.654665D+00
      4   0.217393D+01 -0.592131D+01  0.135166D+00  0.393576D+01  0.648721D+01
      5  -0.371744D+01 -0.106173D+02 -0.205380D+01  0.863179D+00  0.495888D+01
      6  -0.290002D+01 -0.102320D+02  0.549586D+01 -0.109231D+01  0.743187D+01
                31            32            33            34            35 
      1  -0.602908D+01  0.411138D+01  0.973883D+01 -0.321049D+01  0.106620D+02
      2   0.103940D+02 -0.703253D+01 -0.150926D+02  0.467817D+01 -0.204052D+02
      3  -0.436491D+01  0.292115D+01  0.535378D+01 -0.146768D+01  0.974315D+01
      4   0.912899D+01  0.119312D+02 -0.420809D+01  0.500586D+01 -0.568085D+01
      5  -0.911738D+00 -0.254410D+01  0.338444D+01  0.479651D+01  0.103339D+01
      6  -0.177046D+01 -0.194759D+02  0.463035D+01  0.513541D+01 -0.966357D-01
                36            37            38            39            40 
      1   0.215717D+01 -0.595105D+01 -0.699596D+01  0.233289D+01 -0.317196D+01
      2  -0.413461D+01  0.111882D+01  0.377810D+01 -0.940692D+01  0.530578D+01
      3   0.197744D+01  0.483223D+01  0.321785D+01  0.707403D+01 -0.213381D+01
      4   0.639239D+01 -0.601668D+01  0.246492D+01  0.266263D+01 -0.110000D+02
      5  -0.488600D+01  0.858946D+01  0.284831D+01 -0.327047D+01  0.478389D+01
      6  -0.228744D+01  0.193402D+00 -0.729114D+00  0.231909D+00 -0.215726D+01
                41            42            43            44            45 
      1   0.168745D+02 -0.196137D+01  0.154145D+02  0.397695D+01 -0.133620D+01
      2  -0.285557D+02 -0.153176D+01 -0.118302D+02  0.992906D+00 -0.104806D-01
      3   0.116812D+02  0.349312D+01 -0.358430D+01 -0.496985D+01  0.134668D+01
      4   0.207141D+02 -0.498622D+01  0.981908D+01 -0.314427D+01  0.176306D+01
      5  -0.844244D+01  0.438570D+01 -0.119554D+01  0.133851D+01  0.100718D+02
      6   0.727721D+01 -0.989612D+01  0.293970D+01  0.915071D+00  0.239834D+01
                46            47            48            49            50 
      1   0.405894D+01 -0.662166D+01  0.921028D+00 -0.476461D+01 -0.298589D+02
      2   0.316227D+01  0.304289D+01  0.474547D+00 -0.172538D+01  0.545573D+02
      3  -0.722121D+01  0.357877D+01 -0.139557D+01  0.649000D+01 -0.246984D+02
      4  -0.839639D+01  0.139281D+02 -0.370357D+01  0.198371D+02 -0.367258D+02
      5   0.386784D+01 -0.379306D+01  0.556899D+01 -0.284577D+01  0.110160D+02
      6  -0.214996D+01  0.199398D+01 -0.187263D+01  0.342391D+01 -0.113941D+02
                51            52            53            54            55 
      1   0.663948D+01  0.343537D+00  0.300092D+01 -0.740521D+01  0.427886D+02
      2  -0.486060D+01  0.179091D+01 -0.447281D+01  0.443746D+01 -0.277552D+02
      3  -0.177888D+01 -0.213445D+01  0.147189D+01  0.296775D+01 -0.150334D+02
      4   0.652253D+01 -0.497065D+01  0.538977D+01 -0.897520D+01  0.323170D+01
      5  -0.961923D+01  0.491348D+01 -0.990293D+01  0.632921D+01 -0.169014D+02
      6   0.163780D+02 -0.320374D+01  0.152911D+02 -0.665735D+01  0.130446D+01
                56            57            58            59            60 
      1   0.333237D+01 -0.930310D+01 -0.753980D+01  0.913581D+01  0.245640D+01
      2  -0.606545D+00  0.113234D+02  0.671370D+01 -0.533354D+01 -0.222720D+01
      3  -0.272583D+01 -0.202029D+01  0.826101D+00 -0.380227D+01 -0.229203D+00
      4   0.901265D+01 -0.636946D+00  0.142357D+02 -0.108674D+02 -0.293707D+01
      5  -0.524632D+00  0.159515D+02  0.385008D+01 -0.352306D+01 -0.365973D+01
      6  -0.742307D+00  0.468828D+00 -0.257361D+01  0.326991D+01  0.649598D+01
                61            62            63            64            65 
      1  -0.122742D+02 -0.267210D+01  0.419784D+01  0.280265D+01 -0.115681D+01
      2   0.115924D+02  0.102392D+01 -0.148260D+02 -0.681238D+01 -0.658880D-01
      3   0.681721D+00  0.164818D+01  0.106281D+02  0.400973D+01  0.122270D+01
      4  -0.427221D+01 -0.536679D+00  0.574514D+00  0.413365D+01  0.593746D+01
      5   0.168280D+02  0.153865D+01 -0.203771D+02  0.953729D+01  0.364236D+01
      6  -0.127947D+01  0.381805D+01  0.136007D+01  0.512390D+01  0.421135D+01
                66            67            68            69            70 
      1  -0.217749D+01 -0.144458D+01 -0.498053D+01 -0.362134D+01 -0.559918D+01
      2  -0.575227D+01  0.452643D+00  0.187096D+01  0.120099D+01 -0.421374D+01
      3   0.792976D+01  0.991934D+00  0.310957D+01  0.242034D+01  0.981292D+01
      4   0.425813D+01  0.514907D+01  0.345610D+01  0.340628D+01  0.259719D+01
      5   0.127299D+02  0.248014D+01  0.330863D+01  0.323438D+01  0.105782D+02
      6   0.542918D+01  0.454708D+01  0.543506D+01  0.941508D+01  0.626115D+01
                71            72            73            74            75 
      1  -0.550109D+01 -0.172006D+02  0.734318D+00  0.169300D+01 -0.244121D+01
      2  -0.158401D+01 -0.144143D+02 -0.753112D+00  0.207945D+00  0.350834D+00
      3   0.708510D+01  0.316148D+02  0.187939D-01 -0.190095D+01  0.209037D+01
      4   0.359858D+01  0.556115D+01  0.829618D+00  0.325627D+01 -0.163050D+01
      5   0.415827D+01  0.174456D+02 -0.117662D+01 -0.175640D+01  0.588105D+01
      6   0.895128D+01  0.161748D+02 -0.268385D+01  0.101297D+00 -0.336686D+00
                76            77            78            79            80 
      1   0.438605D+01 -0.793115D+01  0.125460D+02 -0.235974D+00  0.712158D+01
      2  -0.322293D+01  0.143564D+01 -0.911843D-01  0.806999D+00  0.196871D+01
      3  -0.116312D+01  0.649551D+01 -0.124548D+02 -0.571025D+00 -0.909029D+01
      4   0.309394D+01  0.557647D+01 -0.426605D+01 -0.328330D-01 -0.113873D+01
      5   0.686082D-01 -0.732065D+01  0.116467D+02  0.433133D+01  0.432082D+01
      6  -0.304441D+00 -0.132778D+02  0.143372D+02 -0.103131D+01  0.106167D+02
                81            82            83            84            85 
      1  -0.126588D+02  0.785167D+01 -0.220600D+01 -0.170295D+01 -0.198894D+01
      2  -0.700819D+01 -0.601863D+01  0.239577D+01  0.514654D+01  0.209454D+01
      3   0.196670D+02 -0.183304D+01 -0.189773D+00 -0.344359D+01 -0.105606D+00
      4   0.165386D+01 -0.758300D+01  0.871451D+01  0.739166D+01  0.865686D+01
      5  -0.851887D+01 -0.114662D+02  0.876159D+01  0.153482D+02  0.899346D+01
      6  -0.127248D+02  0.556009D+01 -0.424633D+01 -0.434761D+01 -0.599517D+01
                86            87            88            89            90 
      1  -0.409828D+01 -0.325466D+01  0.996559D+00 -0.166115D+01 -0.412696D+01
      2   0.337636D+01 -0.150729D+01  0.381999D+01 -0.229283D+01 -0.746188D+01
      3   0.721920D+00  0.476195D+01 -0.481655D+01  0.395398D+01  0.115888D+02
      4  -0.125673D+02 -0.995040D+01  0.493909D+01 -0.465523D+01 -0.714625D+01
      5  -0.115344D+02 -0.113815D+02  0.116697D+02 -0.757532D+01 -0.137362D+02
      6   0.108778D+02  0.111068D+02 -0.417441D+01  0.877291D+01  0.888756D+01
                91            92            93            94            95 
      1  -0.426937D+00  0.434964D+01 -0.476180D+00  0.160602D+02 -0.528299D+01
      2   0.279808D+01 -0.183760D+01 -0.109498D+01 -0.118532D+02  0.563309D+01
      3  -0.237114D+01 -0.251204D+01  0.157116D+01 -0.420700D+01 -0.350106D+00
      4   0.845801D+01  0.150648D+01 -0.212149D+01  0.998517D+00  0.165813D+02
      5   0.208287D+00 -0.255747D+01 -0.496144D-01 -0.822232D+01 -0.169335D+01
      6  -0.188698D+01 -0.601338D+00  0.252936D+01 -0.165715D+01 -0.530453D+01
                96            97            98            99           100 
      1  -0.378838D+01  0.116120D+01  0.435069D+00 -0.856385D+00  0.932214D+00
      2   0.458511D+01 -0.206385D+00  0.467089D+00 -0.176977D+01 -0.294581D+01
      3  -0.796734D+00 -0.954812D+00 -0.902158D+00  0.262615D+01  0.201359D+01
      4  -0.363121D+01 -0.243375D+01 -0.299806D+01  0.357240D+01 -0.519170D+01
      5   0.807563D+01  0.368347D+01  0.305578D+01 -0.394501D+01  0.247674D+01
      6   0.151920D+01  0.201318D+01  0.302158D+01 -0.346327D+01 -0.530670D+01
               101           102           103           104           105 
      1   0.791466D+01 -0.122303D+01  0.217432D+01 -0.241554D+00  0.138707D+01
      2  -0.110911D+02  0.311383D+00 -0.408478D+01  0.200008D+01 -0.177355D+01
      3   0.317649D+01  0.911651D+00  0.191046D+01 -0.175852D+01  0.386481D+00
      4   0.441010D+01 -0.512466D+01  0.294753D+01 -0.347498D+01  0.167896D+01
      5  -0.561195D+00  0.117992D+01 -0.577576D-01  0.168725D+01 -0.178968D+01
      6   0.279313D+01 -0.782376D+01  0.238973D+01 -0.220743D+01  0.249959D+01
               106           107           108           109           110 
      1   0.184401D-01  0.668249D+01 -0.575434D+01 -0.759734D+00  0.382408D+01
      2  -0.272425D+01 -0.762819D+01 -0.755624D-01  0.220152D+01 -0.717286D+01
      3   0.270581D+01  0.945693D+00  0.582990D+01 -0.144178D+01  0.334878D+01
      4  -0.823145D+01  0.218970D+01 -0.552382D+01  0.367331D+00  0.541697D+01
      5   0.267095D+01 -0.151937D+01  0.287082D+01 -0.488605D+00  0.113019D+01
      6  -0.503930D+01  0.505247D+01 -0.107217D+02  0.530923D+00 -0.115400D+01
               111           112           113           114           115 
      1   0.615376D-01  0.272169D+01 -0.307488D+02 -0.774747D+01 -0.110496D+00
      2   0.716597D-01 -0.543489D+01  0.524965D+02  0.124370D+02 -0.259488D+00
      3  -0.133197D+00  0.271321D+01 -0.217476D+02 -0.468956D+01  0.369984D+00
      4   0.879486D+00  0.524953D+01 -0.742642D+00 -0.607583D+00  0.132250D+01
      5   0.200164D+01 -0.329677D+00  0.124802D+01  0.666800D+00  0.152643D+01
      6  -0.305028D+00 -0.185349D+01  0.170178D+02  0.975877D+01 -0.472210D+00
               116           117           118           119           120 
      1  -0.142400D+02 -0.768743D+01 -0.274716D+01  0.881466D+01  0.414242D+01
      2   0.212523D+02  0.874671D+01  0.417648D+01 -0.735270D+01 -0.349757D+01
      3  -0.701224D+01 -0.105929D+01 -0.142932D+01 -0.146195D+01 -0.644858D+00
      4   0.915731D+00  0.393320D+00  0.498255D+00 -0.381235D+01 -0.855023D+00
      5   0.107191D+01  0.572013D+00 -0.150623D+01  0.153107D+01 -0.295380D+00
      6   0.149408D+02  0.900231D+01  0.202579D+01 -0.632412D+01 -0.283911D+01
               121           122           123           124           125 
      1   0.154787D+02 -0.190176D+02 -0.888859D+01  0.297835D+01 -0.757162D+01
      2  -0.104450D+02  0.202167D+02  0.729861D+01 -0.425909D+00  0.439563D+01
      3  -0.503373D+01 -0.119909D+01  0.158999D+01 -0.255244D+01  0.317599D+01
      4  -0.879206D+00  0.127799D+02  0.591833D+01 -0.162419D+01  0.781976D+01
      5   0.594692D-01  0.346441D+01  0.423233D+01  0.195215D+01  0.193551D+01
      6  -0.416565D+01  0.127468D+02  0.842781D+01 -0.261294D+01  0.104665D+02
               126 
      1  -0.715301D+01
      2   0.317159D+01
      3   0.398142D+01
      4   0.193138D+01
      5   0.353356D+01
      6   0.597394D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:41:09 2021, MaxMem=  5368709120 cpu:            2543.1 elap:             318.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.89597 -19.19354 -19.14109 -14.35871 -10.32210
 Alpha  occ. eigenvalues --  -10.25680 -10.23648  -7.95692  -5.92101  -5.91751
 Alpha  occ. eigenvalues --   -5.91127  -1.11578  -1.03520  -0.93500  -0.81189
 Alpha  occ. eigenvalues --   -0.73155  -0.65146  -0.60823  -0.55943  -0.52252
 Alpha  occ. eigenvalues --   -0.49408  -0.47026  -0.46339  -0.43843  -0.42726
 Alpha  occ. eigenvalues --   -0.40368  -0.37783  -0.34673  -0.32769  -0.31376
 Alpha  occ. eigenvalues --   -0.27670  -0.26124
 Alpha virt. eigenvalues --   -0.03371  -0.01287  -0.00337   0.00495   0.00620
 Alpha virt. eigenvalues --    0.01425   0.02942   0.03359   0.04135   0.05399
 Alpha virt. eigenvalues --    0.06085   0.06644   0.07496   0.07906   0.08847
 Alpha virt. eigenvalues --    0.09328   0.09814   0.10265   0.10399   0.10520
 Alpha virt. eigenvalues --    0.11117   0.11523   0.12700   0.13052   0.13555
 Alpha virt. eigenvalues --    0.14680   0.15453   0.16375   0.17387   0.18410
 Alpha virt. eigenvalues --    0.18966   0.19573   0.19999   0.20159   0.21887
 Alpha virt. eigenvalues --    0.22455   0.22954   0.24821   0.25091   0.25515
 Alpha virt. eigenvalues --    0.26321   0.26830   0.27852   0.28273   0.29134
 Alpha virt. eigenvalues --    0.30404   0.31515   0.32479   0.33343   0.33954
 Alpha virt. eigenvalues --    0.34190   0.35350   0.36248   0.38049   0.38683
 Alpha virt. eigenvalues --    0.39531   0.40037   0.41486   0.42386   0.43177
 Alpha virt. eigenvalues --    0.43739   0.44673   0.45195   0.45921   0.46604
 Alpha virt. eigenvalues --    0.47641   0.48496   0.49293   0.51090   0.52197
 Alpha virt. eigenvalues --    0.53887   0.54331   0.55523   0.56202   0.57187
 Alpha virt. eigenvalues --    0.58595   0.59568   0.61867   0.62394   0.63027
 Alpha virt. eigenvalues --    0.63540   0.65771   0.66956   0.67705   0.68526
 Alpha virt. eigenvalues --    0.69931   0.71435   0.72211   0.74954   0.76006
 Alpha virt. eigenvalues --    0.77258   0.79367   0.79842   0.82349   0.83508
 Alpha virt. eigenvalues --    0.85299   0.86228   0.88226   0.90705   0.91410
 Alpha virt. eigenvalues --    0.92821   0.94403   0.95757   0.96208   0.97011
 Alpha virt. eigenvalues --    0.99353   0.99983   1.01476   1.01921   1.05210
 Alpha virt. eigenvalues --    1.06174   1.06718   1.08758   1.10545   1.11398
 Alpha virt. eigenvalues --    1.13725   1.14863   1.17930   1.20308   1.22613
 Alpha virt. eigenvalues --    1.25666   1.26977   1.29998   1.31191   1.32902
 Alpha virt. eigenvalues --    1.37068   1.38254   1.43396   1.47510   1.47857
 Alpha virt. eigenvalues --    1.48409   1.51635   1.54975   1.56929   1.58044
 Alpha virt. eigenvalues --    1.60837   1.62608   1.66247   1.68365   1.72801
 Alpha virt. eigenvalues --    1.73849   1.75684   1.76084   1.78127   1.80271
 Alpha virt. eigenvalues --    1.81994   1.82852   1.87226   1.88910   1.89641
 Alpha virt. eigenvalues --    1.93634   1.96294   1.98281   2.01488   2.02746
 Alpha virt. eigenvalues --    2.06280   2.07382   2.10629   2.11320   2.13169
 Alpha virt. eigenvalues --    2.15112   2.18206   2.19526   2.21689   2.23434
 Alpha virt. eigenvalues --    2.26720   2.29894   2.36308   2.36483   2.42177
 Alpha virt. eigenvalues --    2.46037   2.51352   2.54249   2.58043   2.61306
 Alpha virt. eigenvalues --    2.64433   2.71505   2.76485   2.78123   2.84671
 Alpha virt. eigenvalues --    2.92417   3.01262   3.04029   3.13298   3.25566
 Alpha virt. eigenvalues --    3.34010   3.35992   3.37863   3.40564   3.43127
 Alpha virt. eigenvalues --    3.45591   3.48229   3.55784   3.69439   3.79939
 Alpha virt. eigenvalues --    3.95649
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.027849   0.278808   0.273219  -0.104596  -0.262563   0.011191
     2  S    0.278808  15.747741  -0.094830  -0.060692  -0.024954  -0.003510
     3  C    0.273219  -0.094830   6.265435  -0.038233  -0.819269   0.006570
     4  N   -0.104596  -0.060692  -0.038233   6.755735   0.070601  -0.011063
     5  C   -0.262563  -0.024954  -0.819269   0.070601   6.506583   0.211729
     6  O    0.011191  -0.003510   0.006570  -0.011063   0.211729   8.337943
     7  O   -0.032690  -0.000583   0.215312  -0.055881  -0.224973  -0.080005
     8  H    0.017272   0.037239  -0.270350  -0.034414  -0.075355   0.016791
     9  H   -0.020396  -0.076426   0.097928   0.001739  -0.061112   0.003031
    10  H    0.104608  -0.281750   0.268773   0.011958  -0.018867   0.006296
    11  H    0.008254  -0.001419  -0.127519   0.068885  -0.029012   0.012148
    12  H   -0.115483   0.035925  -0.149422   0.399062   0.068393   0.001076
    13  H    0.014923   0.004340   0.082180   0.273674  -0.055327   0.001106
    14  H   -0.035147   0.222912   0.054042  -0.014812  -0.018517   0.021041
               7          8          9         10         11         12
     1  C   -0.032690   0.017272  -0.020396   0.104608   0.008254  -0.115483
     2  S   -0.000583   0.037239  -0.076426  -0.281750  -0.001419   0.035925
     3  C    0.215312  -0.270350   0.097928   0.268773  -0.127519  -0.149422
     4  N   -0.055881  -0.034414   0.001739   0.011958   0.068885   0.399062
     5  C   -0.224973  -0.075355  -0.061112  -0.018867  -0.029012   0.068393
     6  O   -0.080005   0.016791   0.003031   0.006296   0.012148   0.001076
     7  O    8.345401   0.010636   0.007842   0.000963   0.237204  -0.003325
     8  H    0.010636   1.808286  -0.022710  -0.112950  -0.001295   0.045954
     9  H    0.007842  -0.022710   1.889861  -0.383435  -0.000667   0.013424
    10  H    0.000963  -0.112950  -0.383435   1.694656   0.000077  -0.032779
    11  H    0.237204  -0.001295  -0.000667   0.000077   0.657450  -0.005199
    12  H   -0.003325   0.045954   0.013424  -0.032779  -0.005199   0.883503
    13  H    0.005999  -0.102667  -0.003572   0.007650  -0.003412  -0.153675
    14  H   -0.000958   0.009173  -0.065484   0.033847  -0.000934  -0.006582
              13         14
     1  C    0.014923  -0.035147
     2  S    0.004340   0.222912
     3  C    0.082180   0.054042
     4  N    0.273674  -0.014812
     5  C   -0.055327  -0.018517
     6  O    0.001106   0.021041
     7  O    0.005999  -0.000958
     8  H   -0.102667   0.009173
     9  H   -0.003572  -0.065484
    10  H    0.007650   0.033847
    11  H   -0.003412  -0.000934
    12  H   -0.153675  -0.006582
    13  H    0.951063  -0.000701
    14  H   -0.000701   0.779933
 Mulliken charges:
               1
     1  C    0.834751
     2  S    0.217198
     3  C    0.236162
     4  N   -0.261964
     5  C    0.732641
     6  O   -0.534343
     7  O   -0.424941
     8  H   -0.325611
     9  H   -0.380022
    10  H   -0.299047
    11  H    0.185440
    12  H    0.019128
    13  H   -0.021580
    14  H    0.022187
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.155682
     2  S    0.239385
     3  C   -0.089448
     4  N   -0.264416
     5  C    0.732641
     6  O   -0.534343
     7  O   -0.239501
 Electronic spatial extent (au):  <R**2>=            950.4071
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.3547    Y=              4.0878    Z=              1.4677  Tot=              4.5497
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.5277   YY=            -49.5728   ZZ=            -47.4088
   XY=              3.7767   XZ=              0.4040   YZ=              2.8184
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.0246   YY=              1.9303   ZZ=              4.0943
   XY=              3.7767   XZ=              0.4040   YZ=              2.8184
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             12.5041  YYY=             19.1446  ZZZ=              1.5812  XYY=             -5.5115
  XXY=              9.5914  XXZ=              5.1984  XZZ=              1.4701  YZZ=              1.7254
  YYZ=             -1.4691  XYZ=             -1.5288
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -765.3143 YYYY=           -320.8432 ZZZZ=           -187.2121 XXXY=             -1.6869
 XXXZ=              0.2481 YYYX=              7.0760 YYYZ=             13.7398 ZZZX=             -2.3033
 ZZZY=              0.8743 XXYY=           -181.8572 XXZZ=           -146.5919 YYZZ=            -81.3555
 XXYZ=              0.9410 YYXZ=             -0.9616 ZZXY=              5.6177
 N-N= 3.858296657633D+02 E-N=-2.475797935779D+03  KE= 7.191554329727D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:41:10 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.47114558D-01 1.62828086D+00 5.51659732D-01
 Polarizability= 7.16603778D+01 2.43581861D+00 7.01116046D+01
                 6.18175180D-01 5.03304063D-01 6.28141698D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1953    0.1969        1.7201    1.7198
 2     -0.1953   -0.1969        0.1656    0.1661       -1.5551   -1.5539
 3     -1.7201   -1.7198        5.6868    5.6847       -0.1658   -0.1661
 4     -0.1656   -0.1661       -0.0000    0.0000       -1.7192   -1.7198
 5     -4.1317   -4.1309        1.7192    1.7198        0.1981    0.1969
 6      0.1658    0.1661       -0.1981   -0.1969       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.5906   -0.5906        5.1595    5.1595
 2     -0.4982   -0.4982       -0.0000    0.0000        5.1595    5.1595
 3     -0.4982   -0.4982       -0.5906   -0.5906       -0.0000    0.0000
 4     -0.5906   -0.5906        0.4982    0.4982       -4.6616   -4.6616
 5     -5.1595   -5.1595       17.0542   17.0542       -0.4982   -0.4982
 6    -12.3926  -12.3926        5.1595    5.1595        0.5906    0.5906
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0767    0.0000       -0.8091   -0.7875       -6.8528   -6.8794
 2      0.8016    0.7875       -0.6542   -0.6643        6.2251    6.2155
 3      6.8823    6.8794      -22.7655  -22.7390        0.6194    0.6643
 4      0.6554    0.6643        0.0189    0.0000        6.8896    6.8794
 5     16.5050   16.5235       -6.8913   -6.8794       -0.7430   -0.7875
 6     -0.6430   -0.6643        0.7620    0.7875        0.0168    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0725    0.0000       11.4889   11.4554       20.6137   20.6817
 2    -11.3535  -11.4554      -21.1567  -21.2422       15.0228   15.0490
 3    -20.6571  -20.6817       13.1541   13.1412       21.2849   21.2422
 4     21.3602   21.2422       -0.0033    0.0000      -20.6809  -20.6817
 5    -28.3212  -28.1903       20.7109   20.6817       11.4321   11.4554
 6    -21.2753  -21.2422      -11.4598  -11.4554        0.0610    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6436    0.5821       16.2960   16.3308      -34.3632  -34.3610
 2     29.6676   29.5966       29.5815   29.5861      -34.4252  -34.3610
 3     29.7263   29.5966       16.2919   16.3308      -51.3107  -51.3367
 4    -13.2582  -13.2553      -28.9304  -29.0145       17.5152   17.4133
 5    -16.9358  -16.9757       25.9042   25.8446       29.0603   29.0145
 6    -43.3977  -43.2579       17.0645   16.9757       13.1908   13.2553
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.7064    0.0022    0.0031    0.0038    0.9987    9.8467
 Low frequencies ---   70.4698   93.1565  203.5368
 Diagonal vibrational polarizability:
       32.1487654      17.1374564      15.1913916
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.4663                93.1553               203.5364
 Red. masses --      7.2769                 6.2202                 4.3934
 Frc consts  --      0.0213                 0.0318                 0.1072
 IR Inten    --      1.9776                 4.7155                 1.7073
 RamAct Fr= 1--      1.5239                 0.9183                 0.6195
  Dep-P Fr= 1--      0.7351                 0.7330                 0.0636
  Dep-U Fr= 1--      0.8473                 0.8459                 0.1196
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0118
 Beta2  Fr= 1--      0.2152                 0.1295                 0.0123
 AlphaG Fr= 1--     -0.0008                -0.0007                 0.0088
 Gamma2 Fr= 1--      0.6168                 0.2788                -0.1077
 Delta2 Fr= 1--      0.2531                 0.0918                -0.0350
 Raman1 Fr= 1--       6.095                  3.673                  2.478
 ROA1   Fr= 1--      67.310                 29.704                -11.463
 CID1   Fr= 1--      11.043                  8.086                 -4.626
 Raman2 Fr= 1--       2.582                  1.554                  0.148
 ROA2   Fr= 1--      12.778                  5.957                 -2.306
 CID2   Fr= 1--       4.948                  3.834                -15.560
 Raman3 Fr= 1--       5.165                  3.107                  0.296
 ROA3   Fr= 1--      67.310                 29.704                -11.463
 CID3   Fr= 1--      13.032                  9.559                -38.682
 RC180  Fr= 1--       0.695                  0.692                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.10  -0.03    -0.02   0.17   0.04     0.06  -0.11   0.13
     2  16     0.04   0.10  -0.10     0.21  -0.16  -0.03     0.20   0.11   0.01
     3   6    -0.00  -0.05   0.07     0.02   0.08   0.09    -0.02   0.01   0.04
     4   7    -0.03  -0.01   0.12     0.10   0.12   0.15    -0.23  -0.10  -0.15
     5   6     0.02  -0.03   0.06    -0.13   0.02  -0.03    -0.05  -0.00   0.03
     6   8     0.26   0.02   0.32    -0.23   0.02  -0.06    -0.12  -0.01  -0.04
     7   8    -0.30  -0.07  -0.28    -0.20  -0.05  -0.13    -0.05  -0.01   0.03
     8   1    -0.05  -0.09   0.10     0.05  -0.02   0.09     0.07   0.18  -0.04
     9   1    -0.01  -0.17  -0.14    -0.12   0.29   0.24     0.15  -0.21  -0.04
    10   1    -0.03  -0.17   0.05    -0.08   0.30  -0.20     0.01  -0.24   0.24
    11   1    -0.37  -0.09  -0.30    -0.08  -0.01  -0.04    -0.08  -0.02  -0.02
    12   1    -0.16   0.10   0.24     0.10   0.22   0.15    -0.25  -0.37  -0.12
    13   1     0.19  -0.02   0.17     0.17   0.10   0.20    -0.39  -0.04  -0.28
    14   1     0.07   0.18  -0.26     0.30  -0.22   0.31     0.28   0.21  -0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    275.5753               308.5053               355.3052
 Red. masses --      2.1175                 1.3259                 1.9779
 Frc consts  --      0.0947                 0.0744                 0.1471
 IR Inten    --     22.5871                21.2824                 1.7027
 RamAct Fr= 1--      0.2125                 1.2935                 0.4217
  Dep-P Fr= 1--      0.7431                 0.3801                 0.4002
  Dep-U Fr= 1--      0.8526                 0.5508                 0.5716
 Alpha2 Fr= 1--      0.0000                 0.0103                 0.0031
 Beta2  Fr= 1--      0.0302                 0.1187                 0.0402
 AlphaG Fr= 1--     -0.0003                 0.0062                -0.0010
 Gamma2 Fr= 1--     -0.2938                 0.0175                -0.0659
 Delta2 Fr= 1--     -0.1082                 0.0425                -0.0588
 Raman1 Fr= 1--       0.850                  5.174                  1.687
 ROA1   Fr= 1--     -31.670                  3.040                 -8.207
 CID1   Fr= 1--     -37.253                  0.588                 -4.866
 Raman2 Fr= 1--       0.362                  1.425                  0.482
 ROA2   Fr= 1--      -6.187                  0.080                 -1.112
 CID2   Fr= 1--     -17.070                  0.056                 -2.306
 Raman3 Fr= 1--       0.725                  2.850                  0.964
 ROA3   Fr= 1--     -31.670                  3.040                 -8.207
 CID3   Fr= 1--     -43.694                  1.067                 -8.513
 RC180  Fr= 1--       0.705                  0.102                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.12   0.04    -0.04   0.07   0.02     0.02  -0.06  -0.01
     2  16     0.04   0.04  -0.01    -0.01  -0.01   0.02    -0.03  -0.01   0.00
     3   6    -0.02  -0.07   0.04    -0.02  -0.02   0.01     0.02   0.02   0.07
     4   7    -0.01  -0.10  -0.02     0.02  -0.05  -0.05     0.18  -0.06  -0.04
     5   6     0.01  -0.05   0.00    -0.00  -0.03   0.01    -0.00   0.04   0.06
     6   8     0.13  -0.07  -0.06     0.04  -0.05  -0.03    -0.03   0.02  -0.01
     7   8    -0.05   0.09   0.01    -0.03   0.05   0.04    -0.11   0.08  -0.02
     8   1     0.00  -0.04   0.02    -0.01  -0.01  -0.00    -0.06   0.07   0.09
     9   1    -0.29   0.21   0.20    -0.09   0.12   0.11     0.10  -0.10  -0.09
    10   1    -0.02   0.30  -0.13    -0.04   0.15  -0.08    -0.04  -0.15   0.07
    11   1    -0.14   0.08   0.09    -0.17   0.03   0.02    -0.02   0.12   0.20
    12   1     0.08  -0.22  -0.11    -0.14   0.07   0.11     0.53  -0.35  -0.39
    13   1    -0.16  -0.08  -0.09     0.34  -0.00  -0.05    -0.38  -0.02  -0.22
    14   1    -0.34  -0.38   0.48     0.57   0.50  -0.38     0.08   0.12  -0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    373.1385               497.8906               535.9470
 Red. masses --      1.4188                 3.9946                 5.8759
 Frc consts  --      0.1164                 0.5834                 0.9944
 IR Inten    --     11.6605                 6.3859                 2.0086
 RamAct Fr= 1--      0.6808                 1.8058                 3.2374
  Dep-P Fr= 1--      0.4142                 0.6121                 0.2757
  Dep-U Fr= 1--      0.5858                 0.7594                 0.4323
 Alpha2 Fr= 1--      0.0048                 0.0046                 0.0357
 Beta2  Fr= 1--      0.0665                 0.2285                 0.2332
 AlphaG Fr= 1--      0.0044                 0.0150                -0.0193
 Gamma2 Fr= 1--     -0.6889                -0.8249                 0.4698
 Delta2 Fr= 1--     -0.1603                -0.0793                 0.1528
 Raman1 Fr= 1--       2.723                  7.223                 12.950
 ROA1   Fr= 1--     -71.266                -81.729                 49.985
 CID1   Fr= 1--     -26.170                -11.315                  3.860
 Raman2 Fr= 1--       0.798                  2.743                  2.799
 ROA2   Fr= 1--     -15.252                -19.164                 10.052
 CID2   Fr= 1--     -19.123                 -6.988                  3.592
 Raman3 Fr= 1--       1.595                  5.485                  5.598
 ROA3   Fr= 1--     -71.266                -81.729                 49.985
 CID3   Fr= 1--     -44.677                -14.900                  8.929
 RC180  Fr= 1--       0.172                  0.519                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.01     0.08   0.06  -0.02     0.07   0.06  -0.02
     2  16     0.01   0.00  -0.01    -0.08  -0.03  -0.07    -0.03  -0.02  -0.02
     3   6     0.00   0.01   0.00     0.19   0.04   0.24     0.01   0.25   0.09
     4   7     0.06  -0.03  -0.08    -0.09  -0.14   0.01    -0.06   0.25  -0.06
     5   6    -0.02   0.00   0.02     0.18   0.09   0.15     0.03  -0.10   0.20
     6   8    -0.04  -0.00  -0.00    -0.10   0.06  -0.07     0.18  -0.23  -0.19
     7   8    -0.05   0.08   0.05     0.03  -0.03  -0.09    -0.13  -0.14   0.08
     8   1    -0.01   0.04   0.00     0.02   0.18   0.28    -0.12   0.44   0.10
     9   1     0.15  -0.14  -0.13    -0.17   0.13   0.10     0.32  -0.07  -0.24
    10   1    -0.00  -0.19   0.12     0.08   0.21  -0.22    -0.10  -0.23   0.18
    11   1    -0.26   0.05   0.00    -0.02  -0.05  -0.19     0.03  -0.12   0.07
    12   1    -0.19   0.21   0.17    -0.40  -0.33   0.33    -0.05   0.13  -0.06
    13   1     0.68   0.06  -0.09     0.17   0.00  -0.16    -0.17   0.26  -0.09
    14   1    -0.30  -0.27   0.19    -0.12  -0.04  -0.11    -0.07  -0.06   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    569.0333               664.9503               761.5959
 Red. masses --      3.6221                 4.0267                 5.8503
 Frc consts  --      0.6910                 1.0490                 1.9993
 IR Inten    --      3.7325                 0.6373                 6.8993
 RamAct Fr= 1--      3.0963                15.0060                 5.9147
  Dep-P Fr= 1--      0.3122                 0.1780                 0.0492
  Dep-U Fr= 1--      0.4758                 0.3021                 0.0938
 Alpha2 Fr= 1--      0.0306                 0.2159                 0.1171
 Beta2  Fr= 1--      0.2455                 0.7557                 0.0924
 AlphaG Fr= 1--      0.0259                -0.2026                 0.0299
 Gamma2 Fr= 1--      0.4227                 1.4578                 0.1300
 Delta2 Fr= 1--     -0.3392                 0.0971                 0.1707
 Raman1 Fr= 1--      12.385                 60.024                 23.659
 ROA1   Fr= 1--      29.728                143.053                 17.937
 CID1   Fr= 1--       2.400                  2.383                  0.758
 Raman2 Fr= 1--       2.946                  9.068                  1.109
 ROA2   Fr= 1--      12.860                 34.209                  1.753
 CID2   Fr= 1--       4.364                  3.773                  1.580
 Raman3 Fr= 1--       5.893                 18.136                  2.219
 ROA3   Fr= 1--      29.728                143.053                 17.937
 CID3   Fr= 1--       5.045                  7.888                  8.084
 RC180  Fr= 1--      -0.048                 -0.396                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.07  -0.16     0.09   0.09   0.35    -0.17  -0.04   0.10
     2  16    -0.01  -0.01   0.01    -0.09  -0.04  -0.15    -0.00   0.01  -0.01
     3   6     0.16  -0.06  -0.11     0.09   0.02   0.02    -0.03  -0.02  -0.06
     4   7    -0.08   0.05   0.03     0.02   0.02  -0.01    -0.02   0.14  -0.04
     5   6    -0.00  -0.11  -0.01    -0.09  -0.05  -0.13     0.35  -0.16   0.11
     6   8    -0.08  -0.10   0.10     0.02  -0.01   0.06    -0.18  -0.18   0.09
     7   8    -0.10   0.13   0.08     0.03   0.03   0.03     0.10   0.16  -0.20
     8   1     0.20  -0.11  -0.11     0.49  -0.04  -0.15    -0.21   0.21  -0.03
     9   1     0.12   0.16  -0.01     0.21  -0.11   0.03    -0.14  -0.10   0.01
    10   1     0.32   0.21  -0.28     0.10  -0.07   0.56    -0.09  -0.07   0.23
    11   1    -0.29   0.13   0.23    -0.06   0.02   0.00    -0.23   0.17   0.26
    12   1    -0.13  -0.06   0.08    -0.02  -0.09   0.04     0.10   0.26  -0.16
    13   1    -0.40  -0.11   0.21    -0.11   0.01  -0.01    -0.04   0.08   0.06
    14   1    -0.12  -0.00  -0.20     0.24   0.05   0.22     0.24   0.04   0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    785.0366               836.5683               854.0571
 Red. masses --      1.4107                 2.6045                 1.3488
 Frc consts  --      0.5122                 1.0739                 0.5797
 IR Inten    --      0.6145                35.0444               107.8109
 RamAct Fr= 1--      8.0397                 3.6154                 1.5122
  Dep-P Fr= 1--      0.0921                 0.4000                 0.2935
  Dep-U Fr= 1--      0.1687                 0.5715                 0.4538
 Alpha2 Fr= 1--      0.1435                 0.0268                 0.0158
 Beta2  Fr= 1--      0.2260                 0.3443                 0.1144
 AlphaG Fr= 1--      0.1696                -0.0770                 0.0823
 Gamma2 Fr= 1--     -0.2659                -1.9864                -0.5869
 Delta2 Fr= 1--     -0.1668                -0.3931                -0.3870
 Raman1 Fr= 1--      32.159                 14.462                  6.049
 ROA1   Fr= 1--     -30.863               -203.278                -68.730
 CID1   Fr= 1--      -0.960                -14.056                -11.363
 Raman2 Fr= 1--       2.712                  4.132                  1.372
 ROA2   Fr= 1--      -5.046                -44.530                -10.990
 CID2   Fr= 1--      -1.861                -10.777                 -8.008
 Raman3 Fr= 1--       5.424                  8.264                  2.745
 ROA3   Fr= 1--     -30.863               -203.278                -68.730
 CID3   Fr= 1--      -5.690                -24.598                -25.040
 RC180  Fr= 1--      -0.663                  0.143                 -0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.12   0.12     0.06  -0.01   0.08     0.04   0.03  -0.01
     2  16     0.00   0.00  -0.02    -0.02   0.01  -0.03    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.01    -0.03  -0.12  -0.18    -0.03   0.06   0.02
     4   7     0.01   0.07  -0.04    -0.01  -0.03  -0.01    -0.08  -0.06   0.05
     5   6    -0.00   0.00   0.01     0.08   0.11   0.18    -0.02  -0.03  -0.05
     6   8     0.00  -0.00  -0.00     0.00   0.07  -0.07     0.01  -0.02   0.03
     7   8    -0.01  -0.00   0.01    -0.11  -0.06   0.02     0.00   0.01  -0.05
     8   1     0.07   0.08  -0.06    -0.13   0.03  -0.15    -0.02   0.07   0.01
     9   1    -0.19   0.14   0.53     0.03   0.01   0.11     0.09   0.03  -0.02
    10   1    -0.05   0.19  -0.36     0.34   0.17   0.12    -0.00  -0.00  -0.01
    11   1     0.05   0.01   0.05     0.39   0.05   0.30     0.48   0.17   0.64
    12   1     0.06   0.13  -0.08     0.00   0.28  -0.03     0.19   0.04  -0.20
    13   1     0.05   0.06  -0.01     0.05  -0.24   0.32     0.39   0.14  -0.19
    14   1    -0.38  -0.08  -0.51     0.24   0.05   0.33    -0.06  -0.01  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.3840               971.3966              1049.6172
 Red. masses --      1.4575                 1.5020                 1.8482
 Frc consts  --      0.6931                 0.8350                 1.1997
 IR Inten    --     78.0786                33.5542                30.8994
 RamAct Fr= 1--      1.6976                 2.8933                 0.9577
  Dep-P Fr= 1--      0.7236                 0.7498                 0.5158
  Dep-U Fr= 1--      0.8397                 0.8570                 0.6806
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0044
 Beta2  Fr= 1--      0.2376                 0.4133                 0.1086
 AlphaG Fr= 1--      0.0051                 0.0001                -0.0217
 Gamma2 Fr= 1--     -1.4532                 2.8828                -0.9196
 Delta2 Fr= 1--     -0.3169                 1.1210                 0.2022
 Raman1 Fr= 1--       6.790                 11.573                  3.831
 ROA1   Fr= 1--    -149.650                312.624                -81.807
 CID1   Fr= 1--     -22.039                 27.012                -21.354
 Raman2 Fr= 1--       2.851                  4.959                  1.304
 ROA2   Fr= 1--     -32.342                 60.220                -23.687
 CID2   Fr= 1--     -11.345                 12.143                -18.170
 Raman3 Fr= 1--       5.701                  9.918                  2.607
 ROA3   Fr= 1--    -149.650                312.624                -81.807
 CID3   Fr= 1--     -26.248                 31.520                -31.376
 RC180  Fr= 1--       0.679                  0.714                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.03    -0.02  -0.12  -0.04    -0.14   0.06   0.01
     2  16     0.00   0.00   0.01    -0.02   0.01   0.00     0.02  -0.01   0.02
     3   6     0.08  -0.02   0.06     0.10  -0.02   0.04     0.16   0.01  -0.09
     4   7     0.06   0.06  -0.10    -0.05   0.07   0.00    -0.05  -0.03   0.04
     5   6    -0.03  -0.00  -0.03    -0.02   0.00  -0.04     0.05   0.02   0.03
     6   8     0.01   0.01   0.02     0.01   0.01   0.00    -0.00   0.03  -0.02
     7   8    -0.02   0.00  -0.01    -0.03  -0.02   0.04    -0.05  -0.02   0.04
     8   1     0.10  -0.06   0.05     0.15  -0.06   0.02     0.55   0.04  -0.28
     9   1    -0.16  -0.06  -0.07    -0.37  -0.07   0.07    -0.21  -0.17  -0.33
    10   1    -0.10  -0.06  -0.00     0.20   0.13  -0.16    -0.29  -0.17   0.16
    11   1     0.46   0.14   0.47    -0.06  -0.02  -0.00    -0.03  -0.01   0.01
    12   1    -0.46  -0.08   0.39     0.21  -0.01  -0.23     0.16   0.05  -0.16
    13   1    -0.20  -0.11   0.14     0.21   0.28  -0.29     0.12  -0.02   0.04
    14   1     0.03  -0.00   0.08     0.37   0.09   0.50    -0.20  -0.04  -0.32
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1107.3356              1164.9029              1216.3142
 Red. masses --      1.8300                 1.4600                 2.4714
 Frc consts  --      1.3221                 1.1673                 2.1542
 IR Inten    --     13.5247                 7.8250                15.5110
 RamAct Fr= 1--      1.8566                 2.4639                 5.6357
  Dep-P Fr= 1--      0.3348                 0.5420                 0.4858
  Dep-U Fr= 1--      0.5016                 0.7030                 0.6539
 Alpha2 Fr= 1--      0.0171                 0.0098                 0.0297
 Beta2  Fr= 1--      0.1552                 0.2887                 0.6142
 AlphaG Fr= 1--      0.0196                -0.0370                 0.0434
 Gamma2 Fr= 1--      0.5130                 2.5433                -2.7084
 Delta2 Fr= 1--     -0.3529                 0.3958                -0.7340
 Raman1 Fr= 1--       7.426                  9.856                 22.543
 ROA1   Fr= 1--      37.953                256.819               -283.496
 CID1   Fr= 1--       5.111                 26.058                -12.576
 Raman2 Fr= 1--       1.863                  3.464                  7.371
 ROA2   Fr= 1--      15.135                 57.873                -59.130
 CID2   Fr= 1--       8.126                 16.706                 -8.022
 Raman3 Fr= 1--       3.725                  6.928                 14.741
 ROA3   Fr= 1--      37.953                256.819               -283.496
 CID3   Fr= 1--      10.188                 37.068                -19.231
 RC180  Fr= 1--       0.003                  0.406                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.09  -0.02     0.05   0.03  -0.01    -0.02  -0.02  -0.00
     2  16    -0.01   0.02  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
     3   6     0.04   0.18  -0.06    -0.01  -0.07   0.11     0.02   0.02  -0.08
     4   7     0.02  -0.11   0.05    -0.02   0.00  -0.06     0.01   0.01   0.02
     5   6    -0.05  -0.02   0.00    -0.09   0.00   0.02    -0.18   0.03   0.22
     6   8     0.01  -0.04   0.01     0.01  -0.02   0.01     0.00  -0.10   0.01
     7   8     0.02   0.03  -0.01     0.04   0.03  -0.03     0.06   0.10  -0.09
     8   1     0.15   0.52  -0.19     0.04   0.42  -0.03     0.20  -0.42  -0.05
     9   1     0.05   0.08   0.24    -0.40  -0.16  -0.27    -0.04  -0.03  -0.02
    10   1    -0.23  -0.05  -0.30     0.16   0.05   0.08     0.19   0.08   0.08
    11   1     0.02   0.01  -0.07     0.09   0.01  -0.15     0.49   0.08  -0.44
    12   1    -0.03   0.08   0.09     0.17   0.45  -0.25    -0.05  -0.26   0.09
    13   1    -0.08  -0.31   0.33    -0.00  -0.23   0.31     0.11   0.18  -0.23
    14   1     0.20   0.04   0.33    -0.03   0.00  -0.09    -0.03  -0.01  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1239.5727              1281.8524              1327.7968
 Red. masses --      1.3059                 1.5389                 1.2748
 Frc consts  --      1.1822                 1.4898                 1.3242
 IR Inten    --      2.1128                 5.0482                28.5637
 RamAct Fr= 1--      5.1552                 3.5366                 6.1324
  Dep-P Fr= 1--      0.7489                 0.7378                 0.2946
  Dep-U Fr= 1--      0.8564                 0.8491                 0.4551
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0639
 Beta2  Fr= 1--      0.7358                 0.5005                 0.4651
 AlphaG Fr= 1--      0.0003                -0.0062                 0.0041
 Gamma2 Fr= 1--     -1.6781                 2.2913                -1.4604
 Delta2 Fr= 1--      1.2274                -0.3164                -0.4276
 Raman1 Fr= 1--      20.621                 14.146                 24.530
 ROA1   Fr= 1--    -121.819                209.839               -153.879
 CID1   Fr= 1--      -5.908                 14.834                 -6.273
 Raman2 Fr= 1--       8.830                  6.006                  5.582
 ROA2   Fr= 1--     -50.093                 57.522                -31.628
 CID2   Fr= 1--      -5.673                  9.577                 -5.666
 Raman3 Fr= 1--      17.660                 12.012                 11.164
 ROA3   Fr= 1--    -121.819                209.839               -153.879
 CID3   Fr= 1--      -6.898                 17.469                -13.784
 RC180  Fr= 1--       0.713                  0.698                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.02   0.02    -0.11   0.00  -0.03    -0.07  -0.04  -0.08
     2  16     0.01  -0.01   0.00     0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   6     0.07   0.07  -0.07     0.14  -0.08   0.04    -0.08   0.02   0.07
     4   7     0.01  -0.02   0.03    -0.05   0.01  -0.03     0.01  -0.00  -0.00
     5   6    -0.01  -0.01  -0.05    -0.05   0.00  -0.00     0.02   0.00   0.01
     6   8     0.01  -0.01   0.01     0.00  -0.00   0.01     0.00   0.01  -0.01
     7   8    -0.01   0.00   0.02     0.01   0.01   0.00     0.01  -0.02  -0.01
     8   1    -0.52   0.28   0.16    -0.27   0.01   0.22     0.56   0.07  -0.25
     9   1    -0.22  -0.10  -0.08     0.69   0.26   0.30     0.25   0.15   0.18
    10   1     0.54   0.24   0.33    -0.03  -0.06   0.14     0.55   0.19   0.28
    11   1    -0.02  -0.00   0.00     0.09   0.01  -0.12    -0.17  -0.02   0.17
    12   1    -0.06  -0.14   0.10     0.15   0.21  -0.22    -0.03   0.04   0.04
    13   1    -0.01   0.01  -0.02     0.07  -0.10   0.14    -0.06  -0.01   0.00
    14   1    -0.11  -0.02  -0.19     0.00   0.00   0.00    -0.05  -0.01  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1395.6630              1415.3336              1456.0159
 Red. masses --      1.3078                 1.6732                 1.0892
 Frc consts  --      1.5009                 1.9748                 1.3605
 IR Inten    --      9.7749               393.7293                18.6735
 RamAct Fr= 1--      5.0867                 4.4709                 6.2495
  Dep-P Fr= 1--      0.7481                 0.1038                 0.6617
  Dep-U Fr= 1--      0.8559                 0.1881                 0.7964
 Alpha2 Fr= 1--      0.0002                 0.0776                 0.0098
 Beta2  Fr= 1--      0.7256                 0.1402                 0.8296
 AlphaG Fr= 1--     -0.0017                -0.0069                 0.0025
 Gamma2 Fr= 1--      2.6261                 0.2679                -0.0721
 Delta2 Fr= 1--     -0.9822                 0.3794                -0.0925
 Raman1 Fr= 1--      20.347                 17.884                 24.998
 ROA1   Fr= 1--     220.679                 37.854                 -9.881
 CID1   Fr= 1--      10.846                  2.117                 -0.395
 Raman2 Fr= 1--       8.707                  1.682                  9.955
 ROA2   Fr= 1--      70.885                  3.393                 -0.990
 CID2   Fr= 1--       8.141                  2.018                 -0.099
 Raman3 Fr= 1--      17.414                  3.364                 19.910
 ROA3   Fr= 1--     220.679                 37.854                 -9.881
 CID3   Fr= 1--      12.672                 11.254                 -0.496
 RC180  Fr= 1--       0.712                 -0.624                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.02     0.05   0.02  -0.06
     2  16    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.02  -0.14  -0.01    -0.05   0.04   0.04     0.00  -0.01  -0.02
     4   7     0.03   0.04   0.05     0.00  -0.02  -0.01     0.00   0.00   0.01
     5   6    -0.01   0.00  -0.01     0.13  -0.00  -0.10    -0.01  -0.01   0.01
     6   8    -0.00  -0.00   0.01    -0.02  -0.04   0.03     0.00   0.01  -0.00
     7   8    -0.01   0.01   0.01    -0.09   0.04   0.07     0.00  -0.00  -0.00
     8   1     0.02   0.75  -0.25     0.11  -0.12   0.01    -0.04   0.05  -0.02
     9   1     0.18   0.02  -0.02    -0.04   0.04   0.06    -0.41   0.32   0.47
    10   1    -0.09  -0.02  -0.07     0.11   0.00   0.09    -0.11  -0.49   0.49
    11   1     0.18   0.02  -0.14     0.69   0.07  -0.63    -0.02  -0.00   0.02
    12   1    -0.09  -0.26   0.18     0.02   0.13  -0.03    -0.01  -0.03   0.02
    13   1     0.03   0.25  -0.28    -0.01  -0.04   0.01     0.01   0.03  -0.03
    14   1     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.00   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1651.5691              1833.7569              2672.3617
 Red. masses --      1.0930                 9.6526                 1.0383
 Frc consts  --      1.7566                19.1239                 4.3687
 IR Inten    --     34.5368               275.0958                 0.4201
 RamAct Fr= 1--      5.2078                11.9172                97.6066
  Dep-P Fr= 1--      0.7467                 0.2894                 0.1572
  Dep-U Fr= 1--      0.8550                 0.4489                 0.2717
 Alpha2 Fr= 1--      0.0003                 0.1261                 1.4815
 Beta2  Fr= 1--      0.7421                 0.8916                 4.4197
 AlphaG Fr= 1--     -0.0050                 0.2055                 0.4047
 Gamma2 Fr= 1--      0.9011                 2.1138                 4.9255
 Delta2 Fr= 1--     -0.0698                 0.2380                 2.5214
 Raman1 Fr= 1--      20.831                 47.669                390.426
 ROA1   Fr= 1--      84.272                210.537                553.532
 CID1   Fr= 1--       4.045                  4.417                  1.418
 Raman2 Fr= 1--       8.905                 10.699                 53.037
 ROA2   Fr= 1--      22.184                 48.826                 98.041
 CID2   Fr= 1--       2.491                  4.564                  1.849
 Raman3 Fr= 1--      17.810                 21.398                106.073
 ROA3   Fr= 1--      84.272                210.537                553.532
 CID3   Fr= 1--       4.732                  9.839                  5.218
 RC180  Fr= 1--       0.710                 -0.102                 -0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     2  16     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.03  -0.01
     3   6     0.03  -0.00  -0.01     0.01  -0.04  -0.00     0.00   0.00   0.00
     4   7     0.02  -0.07   0.03     0.00  -0.01   0.00    -0.00   0.00  -0.00
     5   6    -0.01  -0.00   0.01     0.03   0.70  -0.17     0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.02  -0.43   0.10     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.02  -0.07   0.00    -0.00  -0.00   0.00
     8   1    -0.03  -0.03   0.02    -0.01   0.02  -0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.05   0.04   0.02    -0.00  -0.00   0.00
    10   1    -0.02  -0.01  -0.01    -0.07  -0.07   0.03     0.01  -0.01  -0.01
    11   1    -0.01  -0.00   0.03    -0.39   0.02   0.34    -0.00  -0.00   0.00
    12   1    -0.13   0.70   0.13     0.00   0.03  -0.01     0.00  -0.00   0.00
    13   1    -0.41   0.24  -0.49    -0.03  -0.02   0.01     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.03    -0.53   0.80   0.28
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3029.0107              3076.3473              3138.2037
 Red. masses --      1.0823                 1.0626                 1.1031
 Frc consts  --      5.8507                 5.9248                 6.4009
 IR Inten    --     10.0562                13.7054                 1.1267
 RamAct Fr= 1--    131.3918               137.5663                65.0196
  Dep-P Fr= 1--      0.2752                 0.0723                 0.5614
  Dep-U Fr= 1--      0.4316                 0.1348                 0.7191
 Alpha2 Fr= 1--      1.4495                 2.5762                 0.2326
 Beta2  Fr= 1--      9.4522                 3.0912                 7.7930
 AlphaG Fr= 1--      0.3901                -0.5703                -0.5203
 Gamma2 Fr= 1--     -0.4278                 4.9581               -10.9406
 Delta2 Fr= 1--      0.8135                 0.2902                -1.6745
 Raman1 Fr= 1--     525.567                550.265                260.078
 ROA1   Fr= 1--     -15.036                485.261              -1103.879
 CID1   Fr= 1--      -0.029                  0.882                 -4.244
 Raman2 Fr= 1--     113.426                 37.094                 93.516
 ROA2   Fr= 1--     -16.775                116.672               -249.178
 CID2   Fr= 1--      -0.148                  3.145                 -2.665
 Raman3 Fr= 1--     226.853                 74.188                187.031
 ROA3   Fr= 1--     -15.036                485.261              -1103.879
 CID3   Fr= 1--      -0.066                  6.541                 -5.902
 RC180  Fr= 1--      -0.137                 -0.730                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.04  -0.02  -0.06     0.02  -0.09   0.02
     2  16     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.03  -0.02  -0.07    -0.00  -0.00  -0.01     0.00  -0.00   0.00
     4   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.41   0.22   0.87     0.05   0.03   0.10    -0.00  -0.00  -0.01
     9   1    -0.01   0.05  -0.03     0.03  -0.40   0.24    -0.04   0.74  -0.48
    10   1     0.05  -0.07  -0.05    -0.47   0.60   0.43    -0.25   0.31   0.23
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    13   1     0.00  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.0024              3467.0433              3575.8782
 Red. masses --      1.0631                 1.0553                 1.0886
 Frc consts  --      7.4122                 7.4739                 8.2015
 IR Inten    --    223.0207                29.2497                15.1602
 RamAct Fr= 1--    102.3987                67.0052                89.3251
  Dep-P Fr= 1--      0.0541                 0.0791                 0.3811
  Dep-U Fr= 1--      0.1026                 0.1466                 0.5519
 Alpha2 Fr= 1--      2.0031                 1.2343                 0.7068
 Beta2  Fr= 1--      1.7516                 1.6373                 8.2168
 AlphaG Fr= 1--      0.2391                -0.6250                 0.7253
 Gamma2 Fr= 1--     -2.5739                15.2015                -3.3292
 Delta2 Fr= 1--     -0.5369                 5.2380                -7.1807
 Raman1 Fr= 1--     409.595                268.021                357.300
 ROA1   Fr= 1--    -264.279               1626.958               -549.388
 CID1   Fr= 1--      -0.645                  6.070                 -1.538
 Raman2 Fr= 1--      21.019                 19.647                 98.601
 ROA2   Fr= 1--     -57.479                322.931                -22.455
 CID2   Fr= 1--      -2.735                 16.437                 -0.228
 Raman3 Fr= 1--      42.039                 39.294                197.202
 ROA3   Fr= 1--    -264.279               1626.958               -549.388
 CID3   Fr= 1--      -6.287                 41.404                 -2.786
 RC180  Fr= 1--      -0.795                 -0.707                  0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2  16     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   7     0.01  -0.01   0.01    -0.04   0.02  -0.03    -0.01  -0.06  -0.05
     5   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.01  -0.06   0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
     9   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   1    -0.13   0.93  -0.13    -0.04   0.30  -0.04     0.00  -0.02   0.00
    12   1    -0.19  -0.01  -0.20     0.60   0.03   0.63     0.28  -0.00   0.26
    13   1    -0.01   0.11   0.08     0.02  -0.31  -0.20    -0.10   0.77   0.50
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   584.363651138.252301369.74446
           X            0.99958   0.02619  -0.01219
           Y           -0.02594   0.99946   0.02040
           Z            0.01272  -0.02008   0.99972
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14822     0.07609     0.06323
 Rotational constants (GHZ):           3.08839     1.58554     1.31758
 Zero-point vibrational energy     284670.1 (Joules/Mol)
                                   68.03778 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.39   134.03   292.84   396.49   443.87
          (Kelvin)            511.21   536.86   716.35   771.11   818.71
                              956.72  1095.77  1129.49  1203.64  1228.80
                             1292.57  1397.62  1510.17  1593.21  1676.04
                             1750.00  1783.47  1844.30  1910.40  2008.05
                             2036.35  2094.88  2376.24  2638.37  3844.93
                             4358.07  4426.18  4515.18  4949.40  4988.30
                             5144.89
 
 Zero-point correction=                           0.108425 (Hartree/Particle)
 Thermal correction to Energy=                    0.116188
 Thermal correction to Enthalpy=                  0.117132
 Thermal correction to Gibbs Free Energy=         0.075757
 Sum of electronic and zero-point Energies=           -722.021435
 Sum of electronic and thermal Energies=              -722.013672
 Sum of electronic and thermal Enthalpies=            -722.012728
 Sum of electronic and thermal Free Energies=         -722.054102
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.909             27.928             87.080
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.301
 Vibrational             71.131             21.966             18.493
 Vibration     1          0.598              1.968              4.140
 Vibration     2          0.602              1.954              3.593
 Vibration     3          0.639              1.835              2.101
 Vibration     4          0.677              1.719              1.561
 Vibration     5          0.698              1.658              1.370
 Vibration     6          0.731              1.564              1.143
 Vibration     7          0.745              1.527              1.067
 Vibration     8          0.853              1.255              0.663
 Vibration     9          0.891              1.171              0.574
 Vibration    10          0.925              1.098              0.506
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.142598D-34        -34.845886        -80.235618
 Total V=0       0.106208D+16         15.026156         34.599003
 Vib (Bot)       0.797534D-48        -48.098251       -110.750315
 Vib (Bot)    1  0.292664D+01          0.466369          1.073855
 Vib (Bot)    2  0.220589D+01          0.343583          0.791129
 Vib (Bot)    3  0.978319D+00         -0.009520         -0.021920
 Vib (Bot)    4  0.699292D+00         -0.155342         -0.357687
 Vib (Bot)    5  0.613462D+00         -0.212212         -0.488637
 Vib (Bot)    6  0.517473D+00         -0.286112         -0.658798
 Vib (Bot)    7  0.486864D+00         -0.312592         -0.719770
 Vib (Bot)    8  0.330716D+00         -0.480545         -1.106496
 Vib (Bot)    9  0.296748D+00         -0.527612         -1.214872
 Vib (Bot)   10  0.270726D+00         -0.567470         -1.306648
 Vib (V=0)       0.594007D+02          1.773791          4.084306
 Vib (V=0)    1  0.346904D+01          0.540210          1.243879
 Vib (V=0)    2  0.276184D+01          0.441199          1.015898
 Vib (V=0)    3  0.159868D+01          0.203763          0.469181
 Vib (V=0)    4  0.135966D+01          0.133429          0.307232
 Vib (V=0)    5  0.129141D+01          0.111065          0.255738
 Vib (V=0)    6  0.121957D+01          0.086206          0.198497
 Vib (V=0)    7  0.119788D+01          0.078413          0.180553
 Vib (V=0)    8  0.109948D+01          0.041186          0.094835
 Vib (V=0)    9  0.108143D+01          0.033998          0.078283
 Vib (V=0)   10  0.106859D+01          0.028810          0.066338
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.341685D+06          5.533626         12.741645
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   33          3 3 3            2                            1      1      111 1 111 1 1 1                                     
     5   44          1 0 0            6                            8      6      443 3 222 1 1 0  9  88877   6  55 4   33 32 2       
     7   64          3 7 2            7                            3      5      519 2 841 6 0 5  7  95386   6  63 9   75 07 0   97  
     6   70          8 6 9            2                            4      2      656 8 206 5 7 0  1  84752   5  96 8   35 96 4   30  
 
     X   XX          X X X            X                            X      X      XXX X XXX X X X  X  XXXXX   X  XX X   XX XX X   XX  
          X                                                        X      X       X            X  X  XXX                             
          X                                                        X              X                  XX                              
          X                                                        X              X                  XX                              
          X                                                        X              X                   X                              
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009784   -0.000012703    0.000024141
      2       16          -0.000010683   -0.000002410   -0.000007852
      3        6          -0.000005456    0.000026473   -0.000032166
      4        7           0.000020671   -0.000029716    0.000024212
      5        6           0.000059206    0.000058794   -0.000084195
      6        8          -0.000006378   -0.000036015    0.000030193
      7        8          -0.000061307   -0.000029170    0.000042898
      8        1          -0.000006865   -0.000003132    0.000005992
      9        1           0.000008251    0.000006710   -0.000006944
     10        1          -0.000004315    0.000003253   -0.000003995
     11        1           0.000014168    0.000002391    0.000005921
     12        1          -0.000015161    0.000009488    0.000002767
     13        1          -0.000004213    0.000012087    0.000001160
     14        1           0.000002297   -0.000006051   -0.000002131
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084195 RMS     0.000026055
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.819934D+02  0.343970D+01 -0.393750D+00
      2   0.343970D+01  0.788857D+02 -0.332149D+00
      3  -0.393750D+00 -0.332149D+00  0.706239D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.327101D+00 -0.271108D+01 -0.436594D+01
      2  -0.179707D+02 -0.719741D+01 -0.298035D+02
      3   0.158213D+02  0.856129D+01  0.689772D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.643620D+02 -0.248089D+02 -0.389916D+02
      2   0.324721D+02  0.200316D+02  0.123451D+02
      3   0.318900D+02  0.477727D+01  0.266465D+02
      4  -0.155779D+01 -0.126367D+02 -0.131690D+02
      5  -0.246891D+02 -0.145742D+02 -0.422333D+02
      6  -0.305711D+01  0.967198D+01  0.147730D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.648269D+00 -0.116080D+01  0.232552D+01 -0.108047D+01  0.126681D+01
      2  -0.116080D+01  0.115133D+01  0.251715D+01  0.126681D+01  0.654479D-01
      3   0.232552D+01  0.251715D+01  0.442682D+01  0.269234D+01 -0.386664D+01
                 6             7             8             9            10 
      1   0.269234D+01  0.564047D+01  0.373129D+01  0.450488D+01 -0.905027D+01
      2  -0.386664D+01  0.373129D+01 -0.812452D+00  0.161119D+01  0.485420D+00
      3   0.304811D+01  0.450488D+01  0.161119D+01  0.259243D+01 -0.278472D+01
                11            12            13            14            15 
      1   0.485420D+00 -0.278472D+01  0.281673D+01 -0.429699D+01 -0.833163D+00
      2  -0.410119D+01 -0.515863D+00 -0.429699D+01  0.237767D+01  0.335791D+00
      3  -0.515863D+00 -0.441422D+01 -0.833163D+00  0.335791D+00  0.245599D+00
                16            17            18            19            20 
      1  -0.467211D+01 -0.200540D+01 -0.582207D+01 -0.317271D+00  0.248446D+01
      2  -0.200540D+01  0.475054D+00 -0.944499D+00  0.248446D+01 -0.140535D+01
      3  -0.582207D+01 -0.944499D+00 -0.714121D+01 -0.238463D+01 -0.227004D+01
                21            22            23            24            25 
      1  -0.238463D+01  0.142431D+01 -0.194939D+01 -0.137571D+01 -0.349520D+01
      2  -0.227004D+01 -0.194939D+01 -0.663167D+00  0.163789D+01 -0.238376D+01
      3  -0.227351D+01 -0.137571D+01  0.163789D+01 -0.786800D+00 -0.402117D+01
                26            27            28            29            30 
      1  -0.238376D+01 -0.402117D+01  0.177408D+01  0.100167D+01  0.136433D+01
      2   0.403586D+00 -0.199891D+01  0.100167D+01  0.379852D+01  0.558477D-01
      3  -0.199891D+01 -0.477596D+01  0.136433D+01  0.558477D-01  0.137200D+01
                31            32            33            34            35 
      1   0.750744D+00  0.299570D+01 -0.104450D+00  0.214696D+01  0.761163D+00
      2   0.299570D+01 -0.135309D+01 -0.326150D+01  0.761163D+00 -0.312267D+01
      3  -0.104450D+00 -0.326150D+01  0.301444D-01  0.180376D+01 -0.151422D+00
                36            37            38            39            40 
      1   0.180376D+01  0.865845D+00 -0.183812D+01  0.896298D+00 -0.802702D+00
      2  -0.151422D+00 -0.183812D+01  0.235811D+01  0.939696D+00  0.557721D+00
      3   0.183627D-01  0.896298D+00  0.939696D+00  0.673597D+00  0.117230D+01
                41            42            43            44            45 
      1   0.557721D+00  0.117230D+01 -0.108683D+01  0.167253D+01 -0.240323D+00
      2   0.524920D+01 -0.220213D+01  0.167253D+01 -0.344667D+01  0.125816D+00
      3  -0.220213D+01 -0.237272D-01 -0.240323D+00  0.125816D+00 -0.914461D-01
                46            47            48            49            50 
      1  -0.649323D+00 -0.265147D+01  0.574140D+00 -0.359322D+01  0.103205D+01
      2  -0.265147D+01  0.238282D+00 -0.611138D+00  0.103205D+01 -0.125290D+02
      3   0.574140D+00 -0.611138D+00 -0.251651D+00 -0.234201D+00  0.239339D+01
                51            52            53            54            55 
      1  -0.234201D+00  0.148409D+01 -0.723221D+00  0.240567D+00  0.585212D+01
      2   0.239339D+01 -0.723221D+00  0.196017D+01 -0.287657D+01  0.452234D+00
      3  -0.243986D+01  0.240567D+00 -0.287657D+01  0.203634D+01 -0.252825D+01
                56            57            58            59            60 
      1   0.452234D+00 -0.252825D+01 -0.211911D+01  0.309449D+01  0.746098D+00
      2   0.599194D+00 -0.244164D+00  0.309449D+01 -0.407431D+01 -0.599920D+00
      3  -0.244164D+00  0.119243D+01  0.746098D+00 -0.599920D+00 -0.606908D+00
                61            62            63            64            65 
      1  -0.172735D+01 -0.396418D+00  0.244059D+01  0.243375D+01  0.301719D+00
      2  -0.396418D+00  0.891838D+00  0.261616D+00  0.301719D+00  0.825731D+00
      3   0.244059D+01  0.261616D+00 -0.321236D+01  0.253557D+01  0.980425D+00
                66            67            68            69            70 
      1   0.253557D+01  0.276676D+00  0.125798D+01  0.827858D+00  0.368826D+01
      2   0.980425D+00  0.125798D+01  0.161692D+01  0.138834D+01  0.115503D+01
      3   0.237046D+01  0.827858D+00  0.138834D+01  0.117978D+01  0.343883D+01
                71            72            73            74            75 
      1   0.115503D+01  0.343883D+01  0.532448D+00 -0.687915D+00  0.647118D+00
      2   0.174614D+01  0.208426D+01 -0.687915D+00 -0.423349D+00 -0.788500D-01
      3   0.208426D+01  0.788185D+01  0.647118D+00 -0.788500D-01 -0.256802D+00
                76            77            78            79            80 
      1  -0.193194D+01 -0.504649D+00 -0.702909D+00  0.524957D+00 -0.729943D-01
      2  -0.504649D+00 -0.370723D+01  0.293723D+01 -0.729943D-01  0.188171D+01
      3  -0.702909D+00  0.293723D+01 -0.476792D+01 -0.260889D+00 -0.234059D+01
                81            82            83            84            85 
      1  -0.260889D+00 -0.279400D+01  0.144518D+01  0.152240D+01  0.230476D+01
      2  -0.234059D+01  0.144518D+01 -0.147647D+01 -0.149917D+01 -0.157888D+01
      3   0.431181D+01  0.152240D+01 -0.149917D+01 -0.281090D+01 -0.132578D+01
                86            87            88            89            90 
      1  -0.157888D+01 -0.132578D+01  0.104204D+01 -0.101411D+01 -0.219150D+01
      2   0.323369D+01  0.274098D+01 -0.101411D+01  0.146134D+01  0.160122D+01
      3   0.274098D+01  0.264386D+01 -0.219150D+01  0.160122D+01  0.315475D+01
                91            92            93            94            95 
      1   0.111619D+01  0.161858D+01 -0.968601D-01  0.381480D+01 -0.100958D+01
      2   0.161858D+01 -0.247186D+00 -0.376127D+00 -0.100958D+01  0.507583D+01
      3  -0.968601D-01 -0.376127D+00  0.372341D+00 -0.144861D+01 -0.540751D+00
                96            97            98            99           100 
      1  -0.144861D+01 -0.567181D+00 -0.475511D+00  0.853241D+00 -0.257022D+01
      2  -0.540751D+00 -0.475511D+00 -0.803203D+00  0.707496D+00 -0.607076D+00
      3   0.155616D+01  0.853241D+00  0.707496D+00 -0.158813D+01 -0.167007D+01
               101           102           103           104           105 
      1  -0.607076D+00 -0.167007D+01 -0.547601D+00 -0.128940D+01  0.228800D+00
      2  -0.275765D+01  0.405358D+00 -0.128940D+01  0.441624D+00 -0.595405D+00
      3   0.405358D+00 -0.138235D+01  0.228800D+00 -0.595405D+00  0.493234D+00
               106           107           108           109           110 
      1  -0.375675D+01 -0.692715D+00 -0.104432D+01  0.374981D+00  0.741386D+00
      2  -0.692715D+00 -0.250879D+01  0.119055D+01  0.741386D+00 -0.122395D+01
      3  -0.104432D+01  0.119055D+01 -0.301513D+01 -0.451210D-01 -0.413729D-01
               111           112           113           114           115 
      1  -0.451210D-01  0.171725D+01 -0.112176D+01 -0.261737D+00  0.845535D+00
      2  -0.413729D-01 -0.112176D+01  0.991652D+01  0.225108D+01 -0.169118D-01
      3   0.706170D-01 -0.261737D+00  0.225108D+01  0.166648D+01 -0.739505D-01
               116           117           118           119           120 
      1  -0.169118D-01 -0.739505D-01  0.178340D+01 -0.158527D+01 -0.355726D+00
      2   0.446557D+01  0.205611D+01 -0.158527D+01  0.266398D+01  0.738247D+00
      3   0.205611D+01  0.149905D+01 -0.355726D+00  0.738247D+00  0.911164D+00
               121           122           123           124           125 
      1  -0.303023D+01  0.154591D+01  0.619164D+00 -0.668903D-01  0.461026D+00
      2   0.154591D+01 -0.565006D+01 -0.261836D+01  0.461026D+00 -0.259162D+01
      3   0.619164D+00 -0.261836D+01 -0.223816D+01  0.372357D+00 -0.132627D+01
               126 
      1   0.372357D+00
      2  -0.132627D+01
      3  -0.167035D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.359389D+01  0.491653D+00  0.543721D+01 -0.187560D+01 -0.117131D+01
      2   0.742802D+01  0.205266D+01 -0.514817D+01  0.181105D+01  0.292322D+01
      3  -0.226318D+01  0.159336D+01  0.139859D+01  0.833941D+01  0.557432D+01
                 6             7             8             9            10 
      1  -0.104869D+02  0.385062D+01 -0.147966D+01  0.507224D+01 -0.356054D+01
      2  -0.869278D+01 -0.133424D+02 -0.491117D+01 -0.110533D+02  0.116912D+02
      3  -0.335913D+01  0.353952D+01 -0.268334D+00  0.225534D+01  0.345785D+01
                11            12            13            14            15 
      1   0.124788D+01 -0.388630D+01 -0.190909D+01 -0.645598D+01 -0.118503D+02
      2   0.630218D+01  0.229022D+02  0.678563D+01 -0.858079D+00  0.325397D+00
      3  -0.188062D+02 -0.245062D+01 -0.535895D+00  0.100657D+02  0.320534D+01
                16            17            18            19            20 
      1   0.185450D+00  0.533376D+01 -0.955191D+00  0.476706D+01  0.123078D+00
      2   0.131357D+01 -0.405387D+00  0.106501D+02 -0.675934D+01 -0.441917D+01
      3  -0.398845D+01  0.342893D+01  0.870081D+00 -0.114172D+01 -0.262975D+01
                21            22            23            24            25 
      1  -0.961742D+00 -0.269087D+00 -0.167052D+01  0.227866D+01  0.911109D+00
      2   0.149180D+01 -0.724727D+01 -0.178159D-01 -0.167656D+01 -0.778577D+00
      3  -0.104027D+01  0.350480D+01  0.419973D+01  0.601154D+00  0.141583D+01
                26            27            28            29            30 
      1   0.733940D+01 -0.188767D+01 -0.663098D+01 -0.402400D+01 -0.404640D+01
      2  -0.239313D+01  0.664960D+00  0.348448D+01 -0.254145D+00  0.777851D+01
      3  -0.184922D+01 -0.810507D+00  0.592221D+01 -0.500738D+01  0.478129D+01
                31            32            33            34            35 
      1  -0.160809D+01  0.126572D+02 -0.316098D+01 -0.600919D+01  0.499659D+01
      2   0.215236D+01 -0.247068D+01  0.684452D+00  0.119497D+01  0.251585D+01
      3   0.382733D+01  0.468643D+01  0.249396D+01  0.576855D+01  0.724587D+01
                36            37            38            39            40 
      1   0.123335D+01 -0.747064D+00  0.343773D+01  0.135001D+01  0.313874D+01
      2  -0.120781D+01 -0.151660D+02  0.401138D+01 -0.824281D+00 -0.109543D+01
      3   0.354163D+01  0.870774D+01 -0.680138D+01 -0.122083D+01 -0.102515D+02
                41            42            43            44            45 
      1   0.147321D+01  0.622982D+01 -0.270129D+01  0.702344D+01 -0.245440D+01
      2   0.131208D+01  0.291482D+01 -0.152848D+02  0.355799D+01  0.993007D+01
      3  -0.109732D+02 -0.871747D+00  0.217122D+01 -0.173409D+01  0.710329D+00
                46            47            48            49            50 
      1   0.943937D+00 -0.575933D+00  0.363877D+00  0.121176D+01 -0.248904D+01
      2   0.350486D+01 -0.233558D+01  0.275116D+01  0.247197D+01 -0.318769D+00
      3   0.388823D+01 -0.137274D+01  0.101871D+01  0.154546D+02  0.179214D+02
                51            52            53            54            55 
      1  -0.117906D+02  0.294326D+00  0.381163D+00  0.227934D+01  0.124479D+00
      2  -0.494325D+01 -0.132889D+00 -0.526340D+01  0.839761D+00  0.262495D+01
      3  -0.217834D+01 -0.131374D+01 -0.111637D+01  0.468244D+01 -0.151354D+01
                56            57            58            59            60 
      1  -0.418994D+01 -0.154932D+01 -0.425779D+01  0.906539D+01 -0.306117D+01
      2  -0.208119D+01  0.718135D+01 -0.803052D+00  0.104998D+01 -0.181339D+01
      3  -0.919839D+01  0.107360D+01 -0.691229D+01  0.176344D+02  0.154803D+01
                61            62            63            64            65 
      1   0.136488D+01  0.259380D+01  0.278108D+00 -0.796107D+00  0.144745D+01
      2   0.531491D+01 -0.136325D+01 -0.103790D+02 -0.161532D+01 -0.456503D+00
      3  -0.582636D+00  0.216427D+01 -0.136513D+01  0.122088D+01 -0.170104D+01
                66            67            68            69            70 
      1  -0.736876D+00  0.928687D+00  0.234305D+01 -0.778427D+00 -0.113409D+00
      2   0.143689D+00  0.707587D+00 -0.102480D+01  0.568582D+00 -0.484877D+01
      3   0.146218D+01  0.634057D+00 -0.125220D+01 -0.165149D+00  0.124329D+01
                71            72            73            74            75 
      1   0.248530D+01 -0.220873D+01 -0.723455D+00  0.755911D+00 -0.638840D+00
      2  -0.413369D+00  0.431860D+00 -0.375515D+01  0.654662D+00  0.518059D+00
      3  -0.873786D+00  0.856601D+00 -0.138489D+01 -0.827468D+00 -0.369389D+00
                76            77            78            79            80 
      1   0.422802D+00 -0.614011D+01  0.376182D+01 -0.150820D-01  0.559932D+01
      2   0.431209D+01 -0.292886D+01  0.609947D+01 -0.256048D+01  0.213847D+01
      3   0.190841D+01 -0.592826D+01  0.413684D+01 -0.588321D+00  0.211372D+01
                81            82            83            84            85 
      1  -0.379771D+01  0.195122D+01 -0.173317D+01 -0.984476D+00 -0.148945D+01
      2  -0.280152D+01  0.165696D+01 -0.769492D-01  0.308470D+01 -0.296730D+01
      3  -0.282685D+01  0.100824D+01 -0.351822D+01 -0.198136D+01  0.455431D+00
                86            87            88            89            90 
      1   0.385187D+01  0.130223D+01 -0.919385D+00  0.375070D+01  0.234647D+00
      2  -0.123271D+01 -0.174320D+01 -0.890008D+00 -0.683872D+00 -0.635834D+00
      3   0.387108D+01  0.314961D+01 -0.575038D+00  0.183991D+01  0.137737D+01
                91            92            93            94            95 
      1  -0.139277D+01  0.347359D+01 -0.114831D+01  0.431543D+01 -0.102830D+02
      2  -0.202847D+01  0.100807D+01 -0.371096D-01  0.113934D+01 -0.383580D+01
      3  -0.930475D+00  0.394924D+01  0.796144D+00  0.857364D+01 -0.206267D+02
                96            97            98            99           100 
      1   0.270575D+00 -0.966113D+00  0.201718D+01  0.837315D+00  0.697859D+01
      2   0.355105D+01 -0.114855D+01  0.187210D+01 -0.875365D+00 -0.495343D+01
      3   0.175137D+00 -0.203350D+00  0.314929D+00 -0.228719D+00 -0.991392D+01
               101           102           103           104           105 
      1   0.244425D+01  0.551901D+01  0.154424D+01  0.155516D+01 -0.494927D+00
      2  -0.111950D+01 -0.274857D+01 -0.205690D+01 -0.246112D+01 -0.651288D+00
      3  -0.376689D+01 -0.461927D+01 -0.146487D+01 -0.227612D+01  0.553778D+00
               106           107           108           109           110 
      1   0.569245D+01  0.131703D+01  0.573619D+01  0.930474D+00  0.702582D+00
      2  -0.684555D+01 -0.212741D+01 -0.119662D+01  0.242061D+00  0.158594D+00
      3  -0.103147D+02 -0.162505D+01 -0.299695D+01 -0.203696D+00  0.125733D+01
               111           112           113           114           115 
      1   0.225369D+00  0.139461D+01 -0.784310D+01 -0.647356D+01  0.279255D+00
      2   0.659506D-01 -0.700191D-01  0.236406D+01  0.993873D+00 -0.476477D+00
      3  -0.423838D+00  0.701223D+01 -0.816483D+01 -0.277665D+01  0.285582D+01
               116           117           118           119           120 
      1  -0.524398D+01 -0.434504D+01  0.174906D+01 -0.360108D+01  0.105678D+01
      2   0.201542D+01  0.108021D+01  0.344983D+01 -0.361007D+01 -0.184739D+01
      3  -0.335473D+01 -0.189263D+01 -0.857387D+01  0.738589D+01  0.174082D+01
               121           122           123           124           125 
      1  -0.135184D+01  0.527273D+01 -0.105816D+01 -0.133483D+00  0.332957D+01
      2  -0.514006D+01  0.749929D+01  0.438283D+01 -0.251373D+01  0.374197D+01
      3   0.104534D+02 -0.130126D+02 -0.671089D+01  0.572053D+00 -0.628605D+01
               126 
      1  -0.188224D+00
      2   0.475060D+01
      3  -0.417301D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.632310D+01 -0.535814D+00 -0.523433D+01 -0.233981D+01  0.675243D+01
      2  -0.529243D+00 -0.508943D+01  0.636579D+01 -0.174114D+01  0.129968D+01
      3   0.685234D+01  0.562524D+01 -0.113146D+01  0.408095D+01 -0.805211D+01
      4   0.350765D+01 -0.639280D+01 -0.575569D+01 -0.241720D+01  0.334555D+01
      5  -0.308068D+01 -0.863825D+01 -0.174940D+02 -0.126640D+02  0.131256D+02
      6  -0.292122D+01  0.430894D+01  0.417035D+01  0.628299D+01  0.157999D+01
                 6             7             8             9            10 
      1  -0.916197D+01 -0.250315D+02 -0.115656D+02 -0.841444D+01  0.593597D+02
      2   0.479998D+01  0.109153D+02  0.124776D+01  0.562878D+01 -0.324362D+02
      3   0.436199D+01  0.141162D+02  0.103179D+02  0.278566D+01 -0.269234D+02
      4   0.900181D+01 -0.148547D+02 -0.197321D+01  0.118358D+01  0.646795D+01
      5  -0.415817D+01 -0.160929D+02 -0.107018D+00 -0.748822D+01  0.158380D+02
      6  -0.125493D+02  0.357766D+01 -0.100448D+02  0.248292D+01 -0.749430D+00
                11            12            13            14            15 
      1  -0.301194D+01  0.644826D+01 -0.160695D+02  0.135842D+02  0.523110D+01
      2   0.726207D+01 -0.641302D+01  0.157373D+02  0.563129D+01 -0.644755D+01
      3  -0.425013D+01 -0.352326D-01  0.332138D+00 -0.192154D+02  0.121645D+01
      4   0.287409D+02  0.145724D+01  0.334839D+02  0.221671D+01  0.142548D+01
      5  -0.138698D+00  0.349265D+02  0.148248D+01  0.217376D+01  0.332524D+01
      6   0.763694D+01  0.435909D+01  0.572314D+01 -0.884295D+01  0.115552D+02
                16            17            18            19            20 
      1   0.110056D+02  0.877206D+01  0.101674D+02  0.467767D-01  0.776431D+01
      2  -0.118872D+02 -0.546951D+01 -0.256763D+02  0.959661D+01 -0.280087D+01
      3   0.881662D+00 -0.330255D+01  0.155090D+02 -0.964339D+01 -0.496345D+01
      4   0.690566D+01 -0.196044D+01  0.454092D+01  0.299814D+01  0.176671D+01
      5   0.398967D+02  0.780892D+01  0.283519D+02 -0.423783D+01 -0.113914D+01
      6   0.733182D+01  0.100806D+02 -0.525490D+00 -0.453628D+01 -0.615610D+01
                21            22            23            24            25 
      1   0.788278D+01  0.234161D+00 -0.888974D+00  0.646308D+00  0.148061D+02
      2   0.197283D+01  0.239558D+01 -0.241480D+01  0.276715D+01 -0.179412D+01
      3  -0.985560D+01 -0.262975D+01  0.330378D+01 -0.341346D+01 -0.130120D+02
      4  -0.364063D+01 -0.649124D+01 -0.878353D+01  0.223950D+01  0.583036D+01
      5  -0.681319D+01  0.331313D+01 -0.965655D+00 -0.834297D+01 -0.356504D+01
      6  -0.709576D+01 -0.228338D+01  0.196590D+01 -0.305461D+01 -0.600585D+01
                26            27            28            29            30 
      1   0.278192D+01  0.898833D+01  0.695769D+01 -0.125783D+02  0.244371D+00
      2   0.107257D+02  0.630988D+01 -0.465434D+00  0.170371D+02  0.410293D+00
      3  -0.135076D+02 -0.152982D+02 -0.649226D+01 -0.445884D+01 -0.654664D+00
      4   0.217393D+01 -0.592131D+01  0.135167D+00  0.393577D+01  0.648721D+01
      5  -0.371744D+01 -0.106173D+02 -0.205380D+01  0.863179D+00  0.495889D+01
      6  -0.290002D+01 -0.102320D+02  0.549586D+01 -0.109232D+01  0.743187D+01
                31            32            33            34            35 
      1  -0.602908D+01  0.411139D+01  0.973883D+01 -0.321048D+01  0.106620D+02
      2   0.103940D+02 -0.703254D+01 -0.150926D+02  0.467816D+01 -0.204052D+02
      3  -0.436490D+01  0.292115D+01  0.535378D+01 -0.146768D+01  0.974315D+01
      4   0.912900D+01  0.119312D+02 -0.420810D+01  0.500586D+01 -0.568086D+01
      5  -0.911739D+00 -0.254410D+01  0.338444D+01  0.479651D+01  0.103339D+01
      6  -0.177046D+01 -0.194759D+02  0.463035D+01  0.513541D+01 -0.966369D-01
                36            37            38            39            40 
      1   0.215718D+01 -0.595105D+01 -0.699595D+01  0.233289D+01 -0.317196D+01
      2  -0.413462D+01  0.111882D+01  0.377810D+01 -0.940692D+01  0.530577D+01
      3   0.197744D+01  0.483223D+01  0.321785D+01  0.707403D+01 -0.213381D+01
      4   0.639239D+01 -0.601668D+01  0.246492D+01  0.266263D+01 -0.110000D+02
      5  -0.488600D+01  0.858946D+01  0.284831D+01 -0.327047D+01  0.478388D+01
      6  -0.228744D+01  0.193400D+00 -0.729113D+00  0.231908D+00 -0.215726D+01
                41            42            43            44            45 
      1   0.168746D+02 -0.196137D+01  0.154145D+02  0.397694D+01 -0.133620D+01
      2  -0.285557D+02 -0.153175D+01 -0.118302D+02  0.992910D+00 -0.104813D-01
      3   0.116812D+02  0.349312D+01 -0.358430D+01 -0.496985D+01  0.134668D+01
      4   0.207141D+02 -0.498622D+01  0.981907D+01 -0.314428D+01  0.176306D+01
      5  -0.844244D+01  0.438570D+01 -0.119554D+01  0.133851D+01  0.100718D+02
      6   0.727722D+01 -0.989612D+01  0.293970D+01  0.915070D+00  0.239834D+01
                46            47            48            49            50 
      1   0.405894D+01 -0.662166D+01  0.921028D+00 -0.476461D+01 -0.298589D+02
      2   0.316227D+01  0.304290D+01  0.474547D+00 -0.172538D+01  0.545573D+02
      3  -0.722121D+01  0.357876D+01 -0.139558D+01  0.648999D+01 -0.246984D+02
      4  -0.839638D+01  0.139281D+02 -0.370356D+01  0.198371D+02 -0.367258D+02
      5   0.386784D+01 -0.379306D+01  0.556899D+01 -0.284577D+01  0.110160D+02
      6  -0.214996D+01  0.199398D+01 -0.187263D+01  0.342391D+01 -0.113941D+02
                51            52            53            54            55 
      1   0.663948D+01  0.343536D+00  0.300092D+01 -0.740522D+01  0.427886D+02
      2  -0.486060D+01  0.179091D+01 -0.447281D+01  0.443746D+01 -0.277552D+02
      3  -0.177888D+01 -0.213445D+01  0.147189D+01  0.296775D+01 -0.150334D+02
      4   0.652253D+01 -0.497065D+01  0.538977D+01 -0.897520D+01  0.323169D+01
      5  -0.961922D+01  0.491347D+01 -0.990292D+01  0.632921D+01 -0.169014D+02
      6   0.163780D+02 -0.320373D+01  0.152911D+02 -0.665735D+01  0.130446D+01
                56            57            58            59            60 
      1   0.333237D+01 -0.930310D+01 -0.753980D+01  0.913580D+01  0.245640D+01
      2  -0.606544D+00  0.113234D+02  0.671370D+01 -0.533353D+01 -0.222720D+01
      3  -0.272582D+01 -0.202029D+01  0.826103D+00 -0.380227D+01 -0.229202D+00
      4   0.901265D+01 -0.636943D+00  0.142357D+02 -0.108674D+02 -0.293707D+01
      5  -0.524629D+00  0.159515D+02  0.385008D+01 -0.352306D+01 -0.365973D+01
      6  -0.742306D+00  0.468826D+00 -0.257361D+01  0.326991D+01  0.649598D+01
                61            62            63            64            65 
      1  -0.122742D+02 -0.267210D+01  0.419784D+01  0.280265D+01 -0.115681D+01
      2   0.115924D+02  0.102391D+01 -0.148260D+02 -0.681238D+01 -0.658886D-01
      3   0.681722D+00  0.164818D+01  0.106281D+02  0.400973D+01  0.122270D+01
      4  -0.427221D+01 -0.536678D+00  0.574510D+00  0.413365D+01  0.593746D+01
      5   0.168280D+02  0.153865D+01 -0.203771D+02  0.953729D+01  0.364236D+01
      6  -0.127948D+01  0.381805D+01  0.136007D+01  0.512390D+01  0.421135D+01
                66            67            68            69            70 
      1  -0.217749D+01 -0.144458D+01 -0.498052D+01 -0.362133D+01 -0.559918D+01
      2  -0.575227D+01  0.452643D+00  0.187096D+01  0.120099D+01 -0.421374D+01
      3   0.792976D+01  0.991934D+00  0.310956D+01  0.242034D+01  0.981292D+01
      4   0.425813D+01  0.514907D+01  0.345610D+01  0.340628D+01  0.259719D+01
      5   0.127299D+02  0.248014D+01  0.330862D+01  0.323438D+01  0.105782D+02
      6   0.542918D+01  0.454708D+01  0.543505D+01  0.941508D+01  0.626115D+01
                71            72            73            74            75 
      1  -0.550108D+01 -0.172006D+02  0.734320D+00  0.169300D+01 -0.244121D+01
      2  -0.158401D+01 -0.144143D+02 -0.753113D+00  0.207944D+00  0.350835D+00
      3   0.708509D+01  0.316148D+02  0.187933D-01 -0.190095D+01  0.209037D+01
      4   0.359858D+01  0.556115D+01  0.829619D+00  0.325627D+01 -0.163050D+01
      5   0.415827D+01  0.174456D+02 -0.117662D+01 -0.175640D+01  0.588105D+01
      6   0.895127D+01  0.161748D+02 -0.268385D+01  0.101295D+00 -0.336684D+00
                76            77            78            79            80 
      1   0.438604D+01 -0.793115D+01  0.125460D+02 -0.235972D+00  0.712158D+01
      2  -0.322293D+01  0.143564D+01 -0.911826D-01  0.806999D+00  0.196871D+01
      3  -0.116311D+01  0.649551D+01 -0.124548D+02 -0.571027D+00 -0.909029D+01
      4   0.309394D+01  0.557647D+01 -0.426605D+01 -0.328330D-01 -0.113873D+01
      5   0.686070D-01 -0.732065D+01  0.116467D+02  0.433133D+01  0.432082D+01
      6  -0.304444D+00 -0.132778D+02  0.143372D+02 -0.103131D+01  0.106167D+02
                81            82            83            84            85 
      1  -0.126588D+02  0.785166D+01 -0.220600D+01 -0.170294D+01 -0.198893D+01
      2  -0.700819D+01 -0.601862D+01  0.239577D+01  0.514653D+01  0.209454D+01
      3   0.196670D+02 -0.183304D+01 -0.189773D+00 -0.344359D+01 -0.105606D+00
      4   0.165386D+01 -0.758300D+01  0.871451D+01  0.739166D+01  0.865686D+01
      5  -0.851887D+01 -0.114662D+02  0.876159D+01  0.153482D+02  0.899346D+01
      6  -0.127248D+02  0.556009D+01 -0.424633D+01 -0.434761D+01 -0.599517D+01
                86            87            88            89            90 
      1  -0.409829D+01 -0.325467D+01  0.996561D+00 -0.166115D+01 -0.412696D+01
      2   0.337637D+01 -0.150729D+01  0.381999D+01 -0.229283D+01 -0.746188D+01
      3   0.721920D+00  0.476195D+01 -0.481655D+01  0.395398D+01  0.115888D+02
      4  -0.125673D+02 -0.995040D+01  0.493909D+01 -0.465523D+01 -0.714625D+01
      5  -0.115344D+02 -0.113815D+02  0.116697D+02 -0.757532D+01 -0.137362D+02
      6   0.108778D+02  0.111068D+02 -0.417441D+01  0.877292D+01  0.888756D+01
                91            92            93            94            95 
      1  -0.426930D+00  0.434964D+01 -0.476181D+00  0.160602D+02 -0.528298D+01
      2   0.279808D+01 -0.183760D+01 -0.109498D+01 -0.118532D+02  0.563309D+01
      3  -0.237115D+01 -0.251204D+01  0.157116D+01 -0.420700D+01 -0.350105D+00
      4   0.845801D+01  0.150648D+01 -0.212149D+01  0.998513D+00  0.165813D+02
      5   0.208285D+00 -0.255747D+01 -0.496123D-01 -0.822232D+01 -0.169334D+01
      6  -0.188698D+01 -0.601339D+00  0.252936D+01 -0.165715D+01 -0.530453D+01
                96            97            98            99           100 
      1  -0.378838D+01  0.116120D+01  0.435067D+00 -0.856383D+00  0.932214D+00
      2   0.458511D+01 -0.206384D+00  0.467091D+00 -0.176977D+01 -0.294581D+01
      3  -0.796735D+00 -0.954812D+00 -0.902158D+00  0.262615D+01  0.201360D+01
      4  -0.363121D+01 -0.243375D+01 -0.299806D+01  0.357240D+01 -0.519170D+01
      5   0.807563D+01  0.368347D+01  0.305578D+01 -0.394501D+01  0.247674D+01
      6   0.151920D+01  0.201318D+01  0.302158D+01 -0.346327D+01 -0.530670D+01
               101           102           103           104           105 
      1   0.791466D+01 -0.122304D+01  0.217432D+01 -0.241558D+00  0.138707D+01
      2  -0.110911D+02  0.311385D+00 -0.408478D+01  0.200008D+01 -0.177355D+01
      3   0.317649D+01  0.911651D+00  0.191046D+01 -0.175853D+01  0.386481D+00
      4   0.441010D+01 -0.512466D+01  0.294753D+01 -0.347498D+01  0.167896D+01
      5  -0.561195D+00  0.117992D+01 -0.577573D-01  0.168725D+01 -0.178968D+01
      6   0.279313D+01 -0.782376D+01  0.238973D+01 -0.220743D+01  0.249959D+01
               106           107           108           109           110 
      1   0.184382D-01  0.668250D+01 -0.575434D+01 -0.759733D+00  0.382407D+01
      2  -0.272424D+01 -0.762819D+01 -0.755602D-01  0.220151D+01 -0.717285D+01
      3   0.270581D+01  0.945692D+00  0.582990D+01 -0.144178D+01  0.334878D+01
      4  -0.823145D+01  0.218970D+01 -0.552382D+01  0.367334D+00  0.541697D+01
      5   0.267095D+01 -0.151937D+01  0.287081D+01 -0.488604D+00  0.113019D+01
      6  -0.503930D+01  0.505247D+01 -0.107217D+02  0.530922D+00 -0.115400D+01
               111           112           113           114           115 
      1   0.615364D-01  0.272168D+01 -0.307488D+02 -0.774747D+01 -0.110499D+00
      2   0.716619D-01 -0.543489D+01  0.524965D+02  0.124370D+02 -0.259484D+00
      3  -0.133198D+00  0.271320D+01 -0.217476D+02 -0.468956D+01  0.369983D+00
      4   0.879486D+00  0.524953D+01 -0.742628D+00 -0.607579D+00  0.132250D+01
      5   0.200164D+01 -0.329677D+00  0.124803D+01  0.666802D+00  0.152643D+01
      6  -0.305026D+00 -0.185348D+01  0.170178D+02  0.975877D+01 -0.472208D+00
               116           117           118           119           120 
      1  -0.142400D+02 -0.768743D+01 -0.274715D+01  0.881465D+01  0.414242D+01
      2   0.212523D+02  0.874671D+01  0.417648D+01 -0.735270D+01 -0.349756D+01
      3  -0.701224D+01 -0.105929D+01 -0.142932D+01 -0.146195D+01 -0.644858D+00
      4   0.915737D+00  0.393323D+00  0.498256D+00 -0.381235D+01 -0.855023D+00
      5   0.107191D+01  0.572015D+00 -0.150622D+01  0.153107D+01 -0.295380D+00
      6   0.149408D+02  0.900231D+01  0.202578D+01 -0.632412D+01 -0.283911D+01
               121           122           123           124           125 
      1   0.154787D+02 -0.190176D+02 -0.888859D+01  0.297835D+01 -0.757162D+01
      2  -0.104450D+02  0.202167D+02  0.729861D+01 -0.425908D+00  0.439563D+01
      3  -0.503373D+01 -0.119909D+01  0.158999D+01 -0.255244D+01  0.317599D+01
      4  -0.879209D+00  0.127799D+02  0.591833D+01 -0.162419D+01  0.781976D+01
      5   0.594693D-01  0.346441D+01  0.423233D+01  0.195215D+01  0.193552D+01
      6  -0.416564D+01  0.127468D+02  0.842781D+01 -0.261294D+01  0.104665D+02
               126 
      1  -0.715301D+01
      2   0.317159D+01
      3   0.398142D+01
      4   0.193138D+01
      5   0.353356D+01
      6   0.597394D+01
 Leave Link  716 at Thu Aug 12 19:41:10 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.819934D+02  0.343970D+01 -0.393750D+00
      2   0.343970D+01  0.788857D+02 -0.332149D+00
      3  -0.393750D+00 -0.332149D+00  0.706239D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.327101D+00 -0.271108D+01 -0.436594D+01
      2  -0.179707D+02 -0.719741D+01 -0.298035D+02
      3   0.158213D+02  0.856129D+01  0.689772D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.643620D+02 -0.248089D+02 -0.389916D+02
      2   0.324721D+02  0.200316D+02  0.123451D+02
      3   0.318900D+02  0.477727D+01  0.266465D+02
      4  -0.155779D+01 -0.126367D+02 -0.131690D+02
      5  -0.246891D+02 -0.145742D+02 -0.422333D+02
      6  -0.305711D+01  0.967198D+01  0.147730D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.648269D+00 -0.116080D+01  0.232552D+01 -0.108047D+01  0.126681D+01
      2  -0.116080D+01  0.115133D+01  0.251715D+01  0.126681D+01  0.654479D-01
      3   0.232552D+01  0.251715D+01  0.442682D+01  0.269234D+01 -0.386664D+01
                 6             7             8             9            10 
      1   0.269234D+01  0.564047D+01  0.373129D+01  0.450488D+01 -0.905027D+01
      2  -0.386664D+01  0.373129D+01 -0.812452D+00  0.161119D+01  0.485420D+00
      3   0.304811D+01  0.450488D+01  0.161119D+01  0.259243D+01 -0.278472D+01
                11            12            13            14            15 
      1   0.485420D+00 -0.278472D+01  0.281673D+01 -0.429699D+01 -0.833163D+00
      2  -0.410119D+01 -0.515863D+00 -0.429699D+01  0.237767D+01  0.335791D+00
      3  -0.515863D+00 -0.441422D+01 -0.833163D+00  0.335791D+00  0.245599D+00
                16            17            18            19            20 
      1  -0.467211D+01 -0.200540D+01 -0.582207D+01 -0.317271D+00  0.248446D+01
      2  -0.200540D+01  0.475054D+00 -0.944499D+00  0.248446D+01 -0.140535D+01
      3  -0.582207D+01 -0.944499D+00 -0.714121D+01 -0.238463D+01 -0.227004D+01
                21            22            23            24            25 
      1  -0.238463D+01  0.142431D+01 -0.194939D+01 -0.137571D+01 -0.349520D+01
      2  -0.227004D+01 -0.194939D+01 -0.663167D+00  0.163789D+01 -0.238376D+01
      3  -0.227351D+01 -0.137571D+01  0.163789D+01 -0.786800D+00 -0.402117D+01
                26            27            28            29            30 
      1  -0.238376D+01 -0.402117D+01  0.177408D+01  0.100167D+01  0.136433D+01
      2   0.403586D+00 -0.199891D+01  0.100167D+01  0.379852D+01  0.558477D-01
      3  -0.199891D+01 -0.477596D+01  0.136433D+01  0.558477D-01  0.137200D+01
                31            32            33            34            35 
      1   0.750744D+00  0.299570D+01 -0.104450D+00  0.214696D+01  0.761163D+00
      2   0.299570D+01 -0.135309D+01 -0.326150D+01  0.761163D+00 -0.312267D+01
      3  -0.104450D+00 -0.326150D+01  0.301444D-01  0.180376D+01 -0.151422D+00
                36            37            38            39            40 
      1   0.180376D+01  0.865845D+00 -0.183812D+01  0.896298D+00 -0.802702D+00
      2  -0.151422D+00 -0.183812D+01  0.235811D+01  0.939696D+00  0.557721D+00
      3   0.183627D-01  0.896298D+00  0.939696D+00  0.673597D+00  0.117230D+01
                41            42            43            44            45 
      1   0.557721D+00  0.117230D+01 -0.108683D+01  0.167253D+01 -0.240323D+00
      2   0.524920D+01 -0.220213D+01  0.167253D+01 -0.344667D+01  0.125816D+00
      3  -0.220213D+01 -0.237272D-01 -0.240323D+00  0.125816D+00 -0.914461D-01
                46            47            48            49            50 
      1  -0.649323D+00 -0.265147D+01  0.574140D+00 -0.359322D+01  0.103205D+01
      2  -0.265147D+01  0.238282D+00 -0.611138D+00  0.103205D+01 -0.125290D+02
      3   0.574140D+00 -0.611138D+00 -0.251651D+00 -0.234201D+00  0.239339D+01
                51            52            53            54            55 
      1  -0.234201D+00  0.148409D+01 -0.723221D+00  0.240567D+00  0.585212D+01
      2   0.239339D+01 -0.723221D+00  0.196017D+01 -0.287657D+01  0.452234D+00
      3  -0.243986D+01  0.240567D+00 -0.287657D+01  0.203634D+01 -0.252825D+01
                56            57            58            59            60 
      1   0.452234D+00 -0.252825D+01 -0.211911D+01  0.309449D+01  0.746098D+00
      2   0.599194D+00 -0.244164D+00  0.309449D+01 -0.407431D+01 -0.599920D+00
      3  -0.244164D+00  0.119243D+01  0.746098D+00 -0.599920D+00 -0.606908D+00
                61            62            63            64            65 
      1  -0.172735D+01 -0.396418D+00  0.244059D+01  0.243375D+01  0.301719D+00
      2  -0.396418D+00  0.891838D+00  0.261616D+00  0.301719D+00  0.825731D+00
      3   0.244059D+01  0.261616D+00 -0.321236D+01  0.253557D+01  0.980425D+00
                66            67            68            69            70 
      1   0.253557D+01  0.276676D+00  0.125798D+01  0.827858D+00  0.368826D+01
      2   0.980425D+00  0.125798D+01  0.161692D+01  0.138834D+01  0.115503D+01
      3   0.237046D+01  0.827858D+00  0.138834D+01  0.117978D+01  0.343883D+01
                71            72            73            74            75 
      1   0.115503D+01  0.343883D+01  0.532448D+00 -0.687915D+00  0.647118D+00
      2   0.174614D+01  0.208426D+01 -0.687915D+00 -0.423349D+00 -0.788500D-01
      3   0.208426D+01  0.788185D+01  0.647118D+00 -0.788500D-01 -0.256802D+00
                76            77            78            79            80 
      1  -0.193194D+01 -0.504649D+00 -0.702909D+00  0.524957D+00 -0.729943D-01
      2  -0.504649D+00 -0.370723D+01  0.293723D+01 -0.729943D-01  0.188171D+01
      3  -0.702909D+00  0.293723D+01 -0.476792D+01 -0.260889D+00 -0.234059D+01
                81            82            83            84            85 
      1  -0.260889D+00 -0.279400D+01  0.144518D+01  0.152240D+01  0.230476D+01
      2  -0.234059D+01  0.144518D+01 -0.147647D+01 -0.149917D+01 -0.157888D+01
      3   0.431181D+01  0.152240D+01 -0.149917D+01 -0.281090D+01 -0.132578D+01
                86            87            88            89            90 
      1  -0.157888D+01 -0.132578D+01  0.104204D+01 -0.101411D+01 -0.219150D+01
      2   0.323369D+01  0.274098D+01 -0.101411D+01  0.146134D+01  0.160122D+01
      3   0.274098D+01  0.264386D+01 -0.219150D+01  0.160122D+01  0.315475D+01
                91            92            93            94            95 
      1   0.111619D+01  0.161858D+01 -0.968601D-01  0.381480D+01 -0.100958D+01
      2   0.161858D+01 -0.247186D+00 -0.376127D+00 -0.100958D+01  0.507583D+01
      3  -0.968601D-01 -0.376127D+00  0.372341D+00 -0.144861D+01 -0.540751D+00
                96            97            98            99           100 
      1  -0.144861D+01 -0.567181D+00 -0.475511D+00  0.853241D+00 -0.257022D+01
      2  -0.540751D+00 -0.475511D+00 -0.803203D+00  0.707496D+00 -0.607076D+00
      3   0.155616D+01  0.853241D+00  0.707496D+00 -0.158813D+01 -0.167007D+01
               101           102           103           104           105 
      1  -0.607076D+00 -0.167007D+01 -0.547601D+00 -0.128940D+01  0.228800D+00
      2  -0.275765D+01  0.405358D+00 -0.128940D+01  0.441624D+00 -0.595405D+00
      3   0.405358D+00 -0.138235D+01  0.228800D+00 -0.595405D+00  0.493234D+00
               106           107           108           109           110 
      1  -0.375675D+01 -0.692715D+00 -0.104432D+01  0.374981D+00  0.741386D+00
      2  -0.692715D+00 -0.250879D+01  0.119055D+01  0.741386D+00 -0.122395D+01
      3  -0.104432D+01  0.119055D+01 -0.301513D+01 -0.451210D-01 -0.413729D-01
               111           112           113           114           115 
      1  -0.451210D-01  0.171725D+01 -0.112176D+01 -0.261737D+00  0.845535D+00
      2  -0.413729D-01 -0.112176D+01  0.991652D+01  0.225108D+01 -0.169118D-01
      3   0.706170D-01 -0.261737D+00  0.225108D+01  0.166648D+01 -0.739505D-01
               116           117           118           119           120 
      1  -0.169118D-01 -0.739505D-01  0.178340D+01 -0.158527D+01 -0.355726D+00
      2   0.446557D+01  0.205611D+01 -0.158527D+01  0.266398D+01  0.738247D+00
      3   0.205611D+01  0.149905D+01 -0.355726D+00  0.738247D+00  0.911164D+00
               121           122           123           124           125 
      1  -0.303023D+01  0.154591D+01  0.619164D+00 -0.668903D-01  0.461026D+00
      2   0.154591D+01 -0.565006D+01 -0.261836D+01  0.461026D+00 -0.259162D+01
      3   0.619164D+00 -0.261836D+01 -0.223816D+01  0.372357D+00 -0.132627D+01
               126 
      1   0.372357D+00
      2  -0.132627D+01
      3  -0.167035D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.359389D+01  0.491653D+00  0.543721D+01 -0.187560D+01 -0.117131D+01
      2   0.742802D+01  0.205266D+01 -0.514817D+01  0.181105D+01  0.292322D+01
      3  -0.226318D+01  0.159336D+01  0.139859D+01  0.833941D+01  0.557432D+01
                 6             7             8             9            10 
      1  -0.104869D+02  0.385062D+01 -0.147966D+01  0.507224D+01 -0.356054D+01
      2  -0.869278D+01 -0.133424D+02 -0.491117D+01 -0.110533D+02  0.116912D+02
      3  -0.335913D+01  0.353952D+01 -0.268334D+00  0.225534D+01  0.345785D+01
                11            12            13            14            15 
      1   0.124788D+01 -0.388630D+01 -0.190909D+01 -0.645598D+01 -0.118503D+02
      2   0.630218D+01  0.229022D+02  0.678563D+01 -0.858079D+00  0.325397D+00
      3  -0.188062D+02 -0.245062D+01 -0.535895D+00  0.100657D+02  0.320534D+01
                16            17            18            19            20 
      1   0.185450D+00  0.533376D+01 -0.955191D+00  0.476706D+01  0.123078D+00
      2   0.131357D+01 -0.405387D+00  0.106501D+02 -0.675934D+01 -0.441917D+01
      3  -0.398845D+01  0.342893D+01  0.870081D+00 -0.114172D+01 -0.262975D+01
                21            22            23            24            25 
      1  -0.961742D+00 -0.269087D+00 -0.167052D+01  0.227866D+01  0.911109D+00
      2   0.149180D+01 -0.724727D+01 -0.178159D-01 -0.167656D+01 -0.778577D+00
      3  -0.104027D+01  0.350480D+01  0.419973D+01  0.601154D+00  0.141583D+01
                26            27            28            29            30 
      1   0.733940D+01 -0.188767D+01 -0.663098D+01 -0.402400D+01 -0.404640D+01
      2  -0.239313D+01  0.664960D+00  0.348448D+01 -0.254145D+00  0.777851D+01
      3  -0.184922D+01 -0.810507D+00  0.592221D+01 -0.500738D+01  0.478129D+01
                31            32            33            34            35 
      1  -0.160809D+01  0.126572D+02 -0.316098D+01 -0.600919D+01  0.499659D+01
      2   0.215236D+01 -0.247068D+01  0.684452D+00  0.119497D+01  0.251585D+01
      3   0.382733D+01  0.468643D+01  0.249396D+01  0.576855D+01  0.724587D+01
                36            37            38            39            40 
      1   0.123335D+01 -0.747064D+00  0.343773D+01  0.135001D+01  0.313874D+01
      2  -0.120781D+01 -0.151660D+02  0.401138D+01 -0.824281D+00 -0.109543D+01
      3   0.354163D+01  0.870774D+01 -0.680138D+01 -0.122083D+01 -0.102515D+02
                41            42            43            44            45 
      1   0.147321D+01  0.622982D+01 -0.270129D+01  0.702344D+01 -0.245440D+01
      2   0.131208D+01  0.291482D+01 -0.152848D+02  0.355799D+01  0.993007D+01
      3  -0.109732D+02 -0.871747D+00  0.217122D+01 -0.173409D+01  0.710329D+00
                46            47            48            49            50 
      1   0.943937D+00 -0.575933D+00  0.363877D+00  0.121176D+01 -0.248904D+01
      2   0.350486D+01 -0.233558D+01  0.275116D+01  0.247197D+01 -0.318769D+00
      3   0.388823D+01 -0.137274D+01  0.101871D+01  0.154546D+02  0.179214D+02
                51            52            53            54            55 
      1  -0.117906D+02  0.294326D+00  0.381163D+00  0.227934D+01  0.124479D+00
      2  -0.494325D+01 -0.132889D+00 -0.526340D+01  0.839761D+00  0.262495D+01
      3  -0.217834D+01 -0.131374D+01 -0.111637D+01  0.468244D+01 -0.151354D+01
                56            57            58            59            60 
      1  -0.418994D+01 -0.154932D+01 -0.425779D+01  0.906539D+01 -0.306117D+01
      2  -0.208119D+01  0.718135D+01 -0.803052D+00  0.104998D+01 -0.181339D+01
      3  -0.919839D+01  0.107360D+01 -0.691229D+01  0.176344D+02  0.154803D+01
                61            62            63            64            65 
      1   0.136488D+01  0.259380D+01  0.278108D+00 -0.796107D+00  0.144745D+01
      2   0.531491D+01 -0.136325D+01 -0.103790D+02 -0.161532D+01 -0.456503D+00
      3  -0.582636D+00  0.216427D+01 -0.136513D+01  0.122088D+01 -0.170104D+01
                66            67            68            69            70 
      1  -0.736876D+00  0.928687D+00  0.234305D+01 -0.778427D+00 -0.113409D+00
      2   0.143689D+00  0.707587D+00 -0.102480D+01  0.568582D+00 -0.484877D+01
      3   0.146218D+01  0.634057D+00 -0.125220D+01 -0.165149D+00  0.124329D+01
                71            72            73            74            75 
      1   0.248530D+01 -0.220873D+01 -0.723455D+00  0.755911D+00 -0.638840D+00
      2  -0.413369D+00  0.431860D+00 -0.375515D+01  0.654662D+00  0.518059D+00
      3  -0.873786D+00  0.856601D+00 -0.138489D+01 -0.827468D+00 -0.369389D+00
                76            77            78            79            80 
      1   0.422802D+00 -0.614011D+01  0.376182D+01 -0.150820D-01  0.559932D+01
      2   0.431209D+01 -0.292886D+01  0.609947D+01 -0.256048D+01  0.213847D+01
      3   0.190841D+01 -0.592826D+01  0.413684D+01 -0.588321D+00  0.211372D+01
                81            82            83            84            85 
      1  -0.379771D+01  0.195122D+01 -0.173317D+01 -0.984476D+00 -0.148945D+01
      2  -0.280152D+01  0.165696D+01 -0.769492D-01  0.308470D+01 -0.296730D+01
      3  -0.282685D+01  0.100824D+01 -0.351822D+01 -0.198136D+01  0.455431D+00
                86            87            88            89            90 
      1   0.385187D+01  0.130223D+01 -0.919385D+00  0.375070D+01  0.234647D+00
      2  -0.123271D+01 -0.174320D+01 -0.890008D+00 -0.683872D+00 -0.635834D+00
      3   0.387108D+01  0.314961D+01 -0.575038D+00  0.183991D+01  0.137737D+01
                91            92            93            94            95 
      1  -0.139277D+01  0.347359D+01 -0.114831D+01  0.431543D+01 -0.102830D+02
      2  -0.202847D+01  0.100807D+01 -0.371096D-01  0.113934D+01 -0.383580D+01
      3  -0.930475D+00  0.394924D+01  0.796144D+00  0.857364D+01 -0.206267D+02
                96            97            98            99           100 
      1   0.270575D+00 -0.966113D+00  0.201718D+01  0.837315D+00  0.697859D+01
      2   0.355105D+01 -0.114855D+01  0.187210D+01 -0.875365D+00 -0.495343D+01
      3   0.175137D+00 -0.203350D+00  0.314929D+00 -0.228719D+00 -0.991392D+01
               101           102           103           104           105 
      1   0.244425D+01  0.551901D+01  0.154424D+01  0.155516D+01 -0.494927D+00
      2  -0.111950D+01 -0.274857D+01 -0.205690D+01 -0.246112D+01 -0.651288D+00
      3  -0.376689D+01 -0.461927D+01 -0.146487D+01 -0.227612D+01  0.553778D+00
               106           107           108           109           110 
      1   0.569245D+01  0.131703D+01  0.573619D+01  0.930474D+00  0.702582D+00
      2  -0.684555D+01 -0.212741D+01 -0.119662D+01  0.242061D+00  0.158594D+00
      3  -0.103147D+02 -0.162505D+01 -0.299695D+01 -0.203696D+00  0.125733D+01
               111           112           113           114           115 
      1   0.225369D+00  0.139461D+01 -0.784310D+01 -0.647356D+01  0.279255D+00
      2   0.659506D-01 -0.700191D-01  0.236406D+01  0.993873D+00 -0.476477D+00
      3  -0.423838D+00  0.701223D+01 -0.816483D+01 -0.277665D+01  0.285582D+01
               116           117           118           119           120 
      1  -0.524398D+01 -0.434504D+01  0.174906D+01 -0.360108D+01  0.105678D+01
      2   0.201542D+01  0.108021D+01  0.344983D+01 -0.361007D+01 -0.184739D+01
      3  -0.335473D+01 -0.189263D+01 -0.857387D+01  0.738589D+01  0.174082D+01
               121           122           123           124           125 
      1  -0.135184D+01  0.527273D+01 -0.105816D+01 -0.133483D+00  0.332957D+01
      2  -0.514006D+01  0.749929D+01  0.438283D+01 -0.251373D+01  0.374197D+01
      3   0.104534D+02 -0.130126D+02 -0.671089D+01  0.572053D+00 -0.628605D+01
               126 
      1  -0.188224D+00
      2   0.475060D+01
      3  -0.417301D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.632310D+01 -0.535814D+00 -0.523433D+01 -0.233981D+01  0.675243D+01
      2  -0.529243D+00 -0.508943D+01  0.636579D+01 -0.174114D+01  0.129968D+01
      3   0.685234D+01  0.562524D+01 -0.113146D+01  0.408095D+01 -0.805211D+01
      4   0.350765D+01 -0.639280D+01 -0.575569D+01 -0.241720D+01  0.334555D+01
      5  -0.308068D+01 -0.863825D+01 -0.174940D+02 -0.126640D+02  0.131256D+02
      6  -0.292122D+01  0.430894D+01  0.417035D+01  0.628299D+01  0.157999D+01
                 6             7             8             9            10 
      1  -0.916197D+01 -0.250315D+02 -0.115656D+02 -0.841444D+01  0.593597D+02
      2   0.479998D+01  0.109153D+02  0.124776D+01  0.562878D+01 -0.324362D+02
      3   0.436199D+01  0.141162D+02  0.103179D+02  0.278566D+01 -0.269234D+02
      4   0.900181D+01 -0.148547D+02 -0.197321D+01  0.118358D+01  0.646795D+01
      5  -0.415817D+01 -0.160929D+02 -0.107018D+00 -0.748822D+01  0.158380D+02
      6  -0.125493D+02  0.357766D+01 -0.100448D+02  0.248292D+01 -0.749430D+00
                11            12            13            14            15 
      1  -0.301194D+01  0.644826D+01 -0.160695D+02  0.135842D+02  0.523110D+01
      2   0.726207D+01 -0.641302D+01  0.157373D+02  0.563129D+01 -0.644755D+01
      3  -0.425013D+01 -0.352326D-01  0.332138D+00 -0.192154D+02  0.121645D+01
      4   0.287409D+02  0.145724D+01  0.334839D+02  0.221671D+01  0.142548D+01
      5  -0.138698D+00  0.349265D+02  0.148248D+01  0.217376D+01  0.332524D+01
      6   0.763694D+01  0.435909D+01  0.572314D+01 -0.884295D+01  0.115552D+02
                16            17            18            19            20 
      1   0.110056D+02  0.877206D+01  0.101674D+02  0.467767D-01  0.776431D+01
      2  -0.118872D+02 -0.546951D+01 -0.256763D+02  0.959661D+01 -0.280087D+01
      3   0.881662D+00 -0.330255D+01  0.155090D+02 -0.964339D+01 -0.496345D+01
      4   0.690566D+01 -0.196044D+01  0.454092D+01  0.299814D+01  0.176671D+01
      5   0.398967D+02  0.780892D+01  0.283519D+02 -0.423783D+01 -0.113914D+01
      6   0.733182D+01  0.100806D+02 -0.525490D+00 -0.453628D+01 -0.615610D+01
                21            22            23            24            25 
      1   0.788278D+01  0.234161D+00 -0.888974D+00  0.646308D+00  0.148061D+02
      2   0.197283D+01  0.239558D+01 -0.241480D+01  0.276715D+01 -0.179412D+01
      3  -0.985560D+01 -0.262975D+01  0.330378D+01 -0.341346D+01 -0.130120D+02
      4  -0.364063D+01 -0.649124D+01 -0.878353D+01  0.223950D+01  0.583036D+01
      5  -0.681319D+01  0.331313D+01 -0.965655D+00 -0.834297D+01 -0.356504D+01
      6  -0.709576D+01 -0.228338D+01  0.196590D+01 -0.305461D+01 -0.600585D+01
                26            27            28            29            30 
      1   0.278192D+01  0.898833D+01  0.695769D+01 -0.125783D+02  0.244371D+00
      2   0.107257D+02  0.630988D+01 -0.465434D+00  0.170371D+02  0.410293D+00
      3  -0.135076D+02 -0.152982D+02 -0.649226D+01 -0.445884D+01 -0.654664D+00
      4   0.217393D+01 -0.592131D+01  0.135167D+00  0.393577D+01  0.648721D+01
      5  -0.371744D+01 -0.106173D+02 -0.205380D+01  0.863179D+00  0.495889D+01
      6  -0.290002D+01 -0.102320D+02  0.549586D+01 -0.109232D+01  0.743187D+01
                31            32            33            34            35 
      1  -0.602908D+01  0.411139D+01  0.973883D+01 -0.321048D+01  0.106620D+02
      2   0.103940D+02 -0.703254D+01 -0.150926D+02  0.467816D+01 -0.204052D+02
      3  -0.436490D+01  0.292115D+01  0.535378D+01 -0.146768D+01  0.974315D+01
      4   0.912900D+01  0.119312D+02 -0.420810D+01  0.500586D+01 -0.568086D+01
      5  -0.911739D+00 -0.254410D+01  0.338444D+01  0.479651D+01  0.103339D+01
      6  -0.177046D+01 -0.194759D+02  0.463035D+01  0.513541D+01 -0.966369D-01
                36            37            38            39            40 
      1   0.215718D+01 -0.595105D+01 -0.699595D+01  0.233289D+01 -0.317196D+01
      2  -0.413462D+01  0.111882D+01  0.377810D+01 -0.940692D+01  0.530577D+01
      3   0.197744D+01  0.483223D+01  0.321785D+01  0.707403D+01 -0.213381D+01
      4   0.639239D+01 -0.601668D+01  0.246492D+01  0.266263D+01 -0.110000D+02
      5  -0.488600D+01  0.858946D+01  0.284831D+01 -0.327047D+01  0.478388D+01
      6  -0.228744D+01  0.193400D+00 -0.729113D+00  0.231908D+00 -0.215726D+01
                41            42            43            44            45 
      1   0.168746D+02 -0.196137D+01  0.154145D+02  0.397694D+01 -0.133620D+01
      2  -0.285557D+02 -0.153175D+01 -0.118302D+02  0.992910D+00 -0.104813D-01
      3   0.116812D+02  0.349312D+01 -0.358430D+01 -0.496985D+01  0.134668D+01
      4   0.207141D+02 -0.498622D+01  0.981907D+01 -0.314428D+01  0.176306D+01
      5  -0.844244D+01  0.438570D+01 -0.119554D+01  0.133851D+01  0.100718D+02
      6   0.727722D+01 -0.989612D+01  0.293970D+01  0.915070D+00  0.239834D+01
                46            47            48            49            50 
      1   0.405894D+01 -0.662166D+01  0.921028D+00 -0.476461D+01 -0.298589D+02
      2   0.316227D+01  0.304290D+01  0.474547D+00 -0.172538D+01  0.545573D+02
      3  -0.722121D+01  0.357876D+01 -0.139558D+01  0.648999D+01 -0.246984D+02
      4  -0.839638D+01  0.139281D+02 -0.370356D+01  0.198371D+02 -0.367258D+02
      5   0.386784D+01 -0.379306D+01  0.556899D+01 -0.284577D+01  0.110160D+02
      6  -0.214996D+01  0.199398D+01 -0.187263D+01  0.342391D+01 -0.113941D+02
                51            52            53            54            55 
      1   0.663948D+01  0.343536D+00  0.300092D+01 -0.740522D+01  0.427886D+02
      2  -0.486060D+01  0.179091D+01 -0.447281D+01  0.443746D+01 -0.277552D+02
      3  -0.177888D+01 -0.213445D+01  0.147189D+01  0.296775D+01 -0.150334D+02
      4   0.652253D+01 -0.497065D+01  0.538977D+01 -0.897520D+01  0.323169D+01
      5  -0.961922D+01  0.491347D+01 -0.990292D+01  0.632921D+01 -0.169014D+02
      6   0.163780D+02 -0.320373D+01  0.152911D+02 -0.665735D+01  0.130446D+01
                56            57            58            59            60 
      1   0.333237D+01 -0.930310D+01 -0.753980D+01  0.913580D+01  0.245640D+01
      2  -0.606544D+00  0.113234D+02  0.671370D+01 -0.533353D+01 -0.222720D+01
      3  -0.272582D+01 -0.202029D+01  0.826103D+00 -0.380227D+01 -0.229202D+00
      4   0.901265D+01 -0.636943D+00  0.142357D+02 -0.108674D+02 -0.293707D+01
      5  -0.524629D+00  0.159515D+02  0.385008D+01 -0.352306D+01 -0.365973D+01
      6  -0.742306D+00  0.468826D+00 -0.257361D+01  0.326991D+01  0.649598D+01
                61            62            63            64            65 
      1  -0.122742D+02 -0.267210D+01  0.419784D+01  0.280265D+01 -0.115681D+01
      2   0.115924D+02  0.102391D+01 -0.148260D+02 -0.681238D+01 -0.658886D-01
      3   0.681722D+00  0.164818D+01  0.106281D+02  0.400973D+01  0.122270D+01
      4  -0.427221D+01 -0.536678D+00  0.574510D+00  0.413365D+01  0.593746D+01
      5   0.168280D+02  0.153865D+01 -0.203771D+02  0.953729D+01  0.364236D+01
      6  -0.127948D+01  0.381805D+01  0.136007D+01  0.512390D+01  0.421135D+01
                66            67            68            69            70 
      1  -0.217749D+01 -0.144458D+01 -0.498052D+01 -0.362133D+01 -0.559918D+01
      2  -0.575227D+01  0.452643D+00  0.187096D+01  0.120099D+01 -0.421374D+01
      3   0.792976D+01  0.991934D+00  0.310956D+01  0.242034D+01  0.981292D+01
      4   0.425813D+01  0.514907D+01  0.345610D+01  0.340628D+01  0.259719D+01
      5   0.127299D+02  0.248014D+01  0.330862D+01  0.323438D+01  0.105782D+02
      6   0.542918D+01  0.454708D+01  0.543505D+01  0.941508D+01  0.626115D+01
                71            72            73            74            75 
      1  -0.550108D+01 -0.172006D+02  0.734320D+00  0.169300D+01 -0.244121D+01
      2  -0.158401D+01 -0.144143D+02 -0.753113D+00  0.207944D+00  0.350835D+00
      3   0.708509D+01  0.316148D+02  0.187933D-01 -0.190095D+01  0.209037D+01
      4   0.359858D+01  0.556115D+01  0.829619D+00  0.325627D+01 -0.163050D+01
      5   0.415827D+01  0.174456D+02 -0.117662D+01 -0.175640D+01  0.588105D+01
      6   0.895127D+01  0.161748D+02 -0.268385D+01  0.101295D+00 -0.336684D+00
                76            77            78            79            80 
      1   0.438604D+01 -0.793115D+01  0.125460D+02 -0.235972D+00  0.712158D+01
      2  -0.322293D+01  0.143564D+01 -0.911826D-01  0.806999D+00  0.196871D+01
      3  -0.116311D+01  0.649551D+01 -0.124548D+02 -0.571027D+00 -0.909029D+01
      4   0.309394D+01  0.557647D+01 -0.426605D+01 -0.328330D-01 -0.113873D+01
      5   0.686070D-01 -0.732065D+01  0.116467D+02  0.433133D+01  0.432082D+01
      6  -0.304444D+00 -0.132778D+02  0.143372D+02 -0.103131D+01  0.106167D+02
                81            82            83            84            85 
      1  -0.126588D+02  0.785166D+01 -0.220600D+01 -0.170294D+01 -0.198893D+01
      2  -0.700819D+01 -0.601862D+01  0.239577D+01  0.514653D+01  0.209454D+01
      3   0.196670D+02 -0.183304D+01 -0.189773D+00 -0.344359D+01 -0.105606D+00
      4   0.165386D+01 -0.758300D+01  0.871451D+01  0.739166D+01  0.865686D+01
      5  -0.851887D+01 -0.114662D+02  0.876159D+01  0.153482D+02  0.899346D+01
      6  -0.127248D+02  0.556009D+01 -0.424633D+01 -0.434761D+01 -0.599517D+01
                86            87            88            89            90 
      1  -0.409829D+01 -0.325467D+01  0.996561D+00 -0.166115D+01 -0.412696D+01
      2   0.337637D+01 -0.150729D+01  0.381999D+01 -0.229283D+01 -0.746188D+01
      3   0.721920D+00  0.476195D+01 -0.481655D+01  0.395398D+01  0.115888D+02
      4  -0.125673D+02 -0.995040D+01  0.493909D+01 -0.465523D+01 -0.714625D+01
      5  -0.115344D+02 -0.113815D+02  0.116697D+02 -0.757532D+01 -0.137362D+02
      6   0.108778D+02  0.111068D+02 -0.417441D+01  0.877292D+01  0.888756D+01
                91            92            93            94            95 
      1  -0.426930D+00  0.434964D+01 -0.476181D+00  0.160602D+02 -0.528298D+01
      2   0.279808D+01 -0.183760D+01 -0.109498D+01 -0.118532D+02  0.563309D+01
      3  -0.237115D+01 -0.251204D+01  0.157116D+01 -0.420700D+01 -0.350105D+00
      4   0.845801D+01  0.150648D+01 -0.212149D+01  0.998513D+00  0.165813D+02
      5   0.208285D+00 -0.255747D+01 -0.496123D-01 -0.822232D+01 -0.169334D+01
      6  -0.188698D+01 -0.601339D+00  0.252936D+01 -0.165715D+01 -0.530453D+01
                96            97            98            99           100 
      1  -0.378838D+01  0.116120D+01  0.435067D+00 -0.856383D+00  0.932214D+00
      2   0.458511D+01 -0.206384D+00  0.467091D+00 -0.176977D+01 -0.294581D+01
      3  -0.796735D+00 -0.954812D+00 -0.902158D+00  0.262615D+01  0.201360D+01
      4  -0.363121D+01 -0.243375D+01 -0.299806D+01  0.357240D+01 -0.519170D+01
      5   0.807563D+01  0.368347D+01  0.305578D+01 -0.394501D+01  0.247674D+01
      6   0.151920D+01  0.201318D+01  0.302158D+01 -0.346327D+01 -0.530670D+01
               101           102           103           104           105 
      1   0.791466D+01 -0.122304D+01  0.217432D+01 -0.241558D+00  0.138707D+01
      2  -0.110911D+02  0.311385D+00 -0.408478D+01  0.200008D+01 -0.177355D+01
      3   0.317649D+01  0.911651D+00  0.191046D+01 -0.175853D+01  0.386481D+00
      4   0.441010D+01 -0.512466D+01  0.294753D+01 -0.347498D+01  0.167896D+01
      5  -0.561195D+00  0.117992D+01 -0.577573D-01  0.168725D+01 -0.178968D+01
      6   0.279313D+01 -0.782376D+01  0.238973D+01 -0.220743D+01  0.249959D+01
               106           107           108           109           110 
      1   0.184382D-01  0.668250D+01 -0.575434D+01 -0.759733D+00  0.382407D+01
      2  -0.272424D+01 -0.762819D+01 -0.755602D-01  0.220151D+01 -0.717285D+01
      3   0.270581D+01  0.945692D+00  0.582990D+01 -0.144178D+01  0.334878D+01
      4  -0.823145D+01  0.218970D+01 -0.552382D+01  0.367334D+00  0.541697D+01
      5   0.267095D+01 -0.151937D+01  0.287081D+01 -0.488604D+00  0.113019D+01
      6  -0.503930D+01  0.505247D+01 -0.107217D+02  0.530922D+00 -0.115400D+01
               111           112           113           114           115 
      1   0.615364D-01  0.272168D+01 -0.307488D+02 -0.774747D+01 -0.110499D+00
      2   0.716619D-01 -0.543489D+01  0.524965D+02  0.124370D+02 -0.259484D+00
      3  -0.133198D+00  0.271320D+01 -0.217476D+02 -0.468956D+01  0.369983D+00
      4   0.879486D+00  0.524953D+01 -0.742628D+00 -0.607579D+00  0.132250D+01
      5   0.200164D+01 -0.329677D+00  0.124803D+01  0.666802D+00  0.152643D+01
      6  -0.305026D+00 -0.185348D+01  0.170178D+02  0.975877D+01 -0.472208D+00
               116           117           118           119           120 
      1  -0.142400D+02 -0.768743D+01 -0.274715D+01  0.881465D+01  0.414242D+01
      2   0.212523D+02  0.874671D+01  0.417648D+01 -0.735270D+01 -0.349756D+01
      3  -0.701224D+01 -0.105929D+01 -0.142932D+01 -0.146195D+01 -0.644858D+00
      4   0.915737D+00  0.393323D+00  0.498256D+00 -0.381235D+01 -0.855023D+00
      5   0.107191D+01  0.572015D+00 -0.150622D+01  0.153107D+01 -0.295380D+00
      6   0.149408D+02  0.900231D+01  0.202578D+01 -0.632412D+01 -0.283911D+01
               121           122           123           124           125 
      1   0.154787D+02 -0.190176D+02 -0.888859D+01  0.297835D+01 -0.757162D+01
      2  -0.104450D+02  0.202167D+02  0.729861D+01 -0.425908D+00  0.439563D+01
      3  -0.503373D+01 -0.119909D+01  0.158999D+01 -0.255244D+01  0.317599D+01
      4  -0.879209D+00  0.127799D+02  0.591833D+01 -0.162419D+01  0.781976D+01
      5   0.594693D-01  0.346441D+01  0.423233D+01  0.195215D+01  0.193552D+01
      6  -0.416564D+01  0.127468D+02  0.842781D+01 -0.261294D+01  0.104665D+02
               126 
      1  -0.715301D+01
      2   0.317159D+01
      3   0.398142D+01
      4   0.193138D+01
      5   0.353356D+01
      6   0.597394D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x         -0.547114D+00     -0.139063D+01     -0.463863D+01
   y          0.162828D+01      0.413868D+01      0.138051D+02
   z          0.551660D+00      0.140218D+01      0.467717D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.716604D+02      0.106190D+02      0.118152D+02
   yx         0.243582D+01      0.360951D+00      0.401612D+00
   yy         0.701116D+02      0.103895D+02      0.115598D+02
   zx         0.618175D+00      0.916041D-01      0.101923D+00
   zy         0.503304D+00      0.745819D-01      0.829836D-01
   zz         0.628142D+02      0.930810D+01      0.103567D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.771677D+02      0.114351D+02      0.127232D+02
   aniso      0.118271D+02      0.175260D+01      0.195003D+01
   xx         0.819934D+02      0.121502D+02      0.135189D+02
   yx         0.343970D+01      0.509710D+00      0.567129D+00
   yy         0.788857D+02      0.116897D+02      0.130065D+02
   zx        -0.393750D+00     -0.583478D-01     -0.649207D-01
   zy        -0.332149D+00     -0.492194D-01     -0.547640D-01
   zz         0.706239D+02      0.104654D+02      0.116443D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.24641604         -2.03519886          1.24324173
    16         -3.93449348         -0.07327055          0.32594033
     6          1.27263411         -0.61969111          1.20752953
     7          1.38492540          1.66648138          2.75516855
     6          2.05435184          0.01528484         -1.52550917
     8          1.62225679         -1.35295206         -3.28555090
     8          3.30291008          2.19478524         -1.74161525
     1          2.73660394         -1.91549721          1.88735268
     1         -1.15485379         -3.67762515          0.01352977
     1         -1.66511488         -2.67009889          3.15755579
     1          3.28340613          2.94013493         -0.03665214
     1         -0.30897994          2.57143491          2.70138140
     1          1.81222594          1.28242030          4.57722152
     1         -3.33061289          0.07916722         -2.13585874

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180415D+01      0.458569D+01      0.152962D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.721405D+02      0.106901D+02      0.118944D+02
   yx         0.274072D+01      0.406133D+00      0.451884D+00
   yy         0.640441D+02      0.949035D+01      0.105594D+02
   zx         0.106433D+01      0.157717D+00      0.175484D+00
   zy         0.195503D+01      0.289706D+00      0.322341D+00
   zz         0.684016D+02      0.101361D+02      0.112779D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.771677D+02      0.114351D+02      0.127232D+02
   aniso      0.118271D+02      0.175260D+01      0.195003D+01
   xx         0.818875D+02      0.121345D+02      0.135014D+02
   yx         0.455093D+01      0.674378D+00      0.750347D+00
   yy         0.732097D+02      0.108486D+02      0.120706D+02
   zx         0.837077D+00      0.124042D+00      0.138015D+00
   zy         0.244003D+01      0.361575D+00      0.402307D+00
   zz         0.764059D+02      0.113222D+02      0.125976D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-26\Freq\RB3LYP\Gen\C3H7N1O2S1\PIERPA\12-Aug-2021\0\\#
 P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSy
 mm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calcul
 ations.\\0,1\C,-1.038368,0.050355,0.973144\S,-1.995843,-0.295319,-0.54
 3653\C,0.363508,0.594497,0.695573\N,0.423962,1.801216,-0.127846\C,1.25
 7054,-0.497668,0.075532\O,1.175185,-1.658561,0.374863\O,2.147652,-0.02
 8506,-0.799987\H,0.830827,0.823589,1.659371\H,-0.978162,-0.853759,1.57
 3271\H,-1.621949,0.791783,1.518928\H,1.947126,0.93199,-0.883214\H,-0.3
 00279,1.767801,-0.840577\H,0.299163,2.642352,0.418972\H,-1.286825,-1.3
 73729,-0.917887\\Version=ES64L-G16RevA.03\State=1-A\HF=-722.1298596\RM
 SD=9.075e-09\RMSF=2.606e-05\ZeroPoint=0.1084251\Thermal=0.1161878\Dipo
 le=-0.5471142,1.628281,0.5516597\DipoleDeriv=0.1654882,0.0154946,0.100
 0217,0.1179906,0.0082015,0.1538651,0.1940782,0.1310128,0.2056327,-0.14
 03657,-0.1304184,0.0490204,-0.1619473,-0.1275424,-0.02949,0.0088487,-0
 .0137825,-0.1354741,0.1585139,0.013557,0.1003537,0.1553219,0.3354932,-
 0.1718791,-0.0145327,-0.253245,0.0821068,-0.5793672,-0.0581683,0.10179
 57,-0.0626663,-0.595319,0.1365608,0.1626548,0.1503274,-0.3306257,0.931
 842,0.1697541,-0.5157858,-0.0058983,1.3798239,-0.3267074,-0.6044905,-0
 .3645547,0.7413945,-0.5613851,0.0816882,0.0644298,-0.019981,-1.1213135
 ,0.2417956,0.1166043,0.1246197,-0.4598006,-0.8283346,-0.2758643,0.3965
 015,0.0097042,-0.7057753,0.1397195,0.428993,0.321587,-0.6636904,-0.038
 8951,-0.024063,-0.0863018,-0.0384458,-0.0021618,-0.0402148,-0.0490879,
 0.0077347,-0.0300801,0.029025,-0.0269386,-0.0749609,-0.0480326,0.01061
 48,0.0454954,-0.0632585,0.0279016,-0.037001,-0.0247404,0.0288611,0.009
 3171,0.0476461,-0.0076099,-0.0883113,0.0036354,-0.0696452,-0.0018009,0
 .4417718,-0.1026325,-0.0643999,-0.1282834,0.4448516,0.0161758,-0.07992
 27,0.0141119,0.2868556,0.1951927,0.0952957,-0.0920452,0.0498887,0.1945
 986,-0.0371983,-0.0395998,-0.0129826,0.1814306,0.2002481,0.1338522,0.0
 185511,0.053357,0.1255415,-0.0123733,-0.0112941,-0.0785179,0.1154997,0
 .0510065,0.0795821,-0.0064975,0.0313463,0.060597,-0.0274381,-0.0526281
 ,0.0154325,0.0455529\Polar=71.6603787,2.4358183,70.1116036,0.6181753,0
 .5033039,62.8141698\Quadrupole=-4.5087388,1.5119725,2.9967663,2.834465
 ,0.3203557,2.0775754\PG=C01 [X(C3H7N1O2S1)]\NImag=0\\0.42431923,-0.080
 49477,0.56314365,-0.06279289,-0.03376452,0.41953008,-0.06633459,0.0124
 7638,-0.03201216,0.17676013,0.00052257,-0.04332443,-0.01652659,-0.1074
 2418,0.21207650,-0.04939220,0.00295478,-0.09238036,0.04511621,0.072396
 91,0.15968743,-0.15709190,-0.01711890,0.02075094,-0.01863248,-0.007622
 66,-0.01088160,0.46809386,-0.02587824,-0.08807456,0.00820600,-0.007587
 06,-0.00344040,-0.00566511,0.01462018,0.46711532,0.01486076,0.00481883
 ,-0.06982659,-0.02583010,-0.00711778,-0.00713468,0.03654133,0.00271636
 ,0.55209642,0.00277337,-0.02930729,0.01888799,0.00076910,-0.00304605,0
 .00050794,-0.07134212,0.00953513,-0.02274768,0.32698227,-0.00442633,-0
 .02183526,0.01276692,-0.00080417,-0.00078824,0.00178868,-0.02133348,-0
 .16415370,0.05682559,-0.03845813,0.60807059,0.00380911,0.01583550,-0.0
 0896007,-0.00228606,-0.00325088,0.00161038,0.00304951,0.03597594,-0.12
 681279,0.18676625,0.11049478,0.52267921,-0.02884705,0.01753602,0.01817
 663,0.00092927,0.00121028,0.00113994,-0.11010010,0.03272293,0.01049553
 ,-0.00624687,0.00537008,0.00230136,0.40808767,0.00317255,0.01664274,0.
 00314729,-0.00108885,-0.00181561,-0.00044387,0.01731863,-0.09627176,-0
 .01700929,0.00593714,-0.03148887,-0.00271332,0.01744690,0.98077727,0.0
 0778676,-0.00022887,-0.00295606,-0.00087377,0.00107832,-0.00087004,0.0
 1339774,-0.03368772,-0.09821329,-0.00094993,0.01495445,0.00373908,-0.1
 6108439,-0.16559083,0.40076779,0.00010295,-0.00026849,0.00012205,-0.00
 046301,0.00025219,-0.00002118,0.01334813,0.01589452,0.00097412,0.00268
 488,0.00347620,0.00015593,-0.09433829,-0.01825311,0.01986083,0.0790925
 6,-0.00396228,-0.00306192,0.00015936,0.00052170,0.00149483,0.00028409,
 0.00269361,-0.03850197,0.00808158,0.00566630,-0.00932039,-0.00412500,-
 0.00949445,-0.70491651,0.13365181,0.04428459,0.79987783,0.00138831,-0.
 00106007,-0.00179173,-0.00061335,-0.00046969,0.00029440,0.00467169,-0.
 00464170,0.01836002,-0.00071423,-0.00185723,0.00089509,0.01794763,0.14
 204483,-0.11875711,-0.04769800,-0.19110494,0.11065185,0.00022657,0.004
 00356,0.00247941,0.00007705,-0.00007926,-0.00025006,-0.01361453,-0.004
 61567,0.03092406,-0.00089329,0.00612839,0.00372892,-0.18735897,0.01001
 501,0.11108871,0.00661047,-0.04090536,0.01541790,0.25791351,0.00046946
 ,-0.00194728,-0.00220299,-0.00002092,0.00072225,-0.00000119,0.01352286
 ,0.00202457,-0.00342963,0.01777964,-0.01230321,-0.01016370,-0.03075023
 ,-0.11648901,0.04068619,-0.05562515,-0.05081635,0.06058078,-0.04556907
 ,0.56213406,-0.00001336,-0.00707205,-0.00296361,-0.00057661,-0.0002346
 6,0.00067580,0.03179769,0.01116155,-0.00796779,-0.00130994,0.00040370,
 0.00560557,0.12101274,0.00575043,-0.16125617,0.01874037,0.04875101,-0.
 01219725,-0.17791421,-0.09611613,0.21355533,-0.01560719,-0.00885144,-0
 .02543272,-0.00499509,-0.00171646,-0.00066134,-0.08784875,-0.02108887,
 -0.09011928,0.00101427,0.00027435,0.00039003,0.01052134,0.00437010,0.0
 1806948,-0.00158722,0.00038712,-0.00182690,-0.00378497,-0.00029845,-0.
 00114728,0.09917962,-0.00505421,-0.00202313,-0.00887047,-0.00244589,-0
 .00012002,-0.00009735,-0.02679442,-0.06072829,-0.05957539,0.01391220,0
 .00046575,0.03207730,-0.01114175,-0.00599722,-0.02159415,0.00276846,-0
 .00056624,0.00242337,0.00290887,0.00044039,0.00085831,0.02540491,0.070
 63635,0.00174929,0.00045981,0.00453125,0.00135431,0.00060783,0.0017280
 5,-0.09301755,-0.04750923,-0.24145956,-0.00837328,-0.00002252,-0.01858
 312,-0.00589692,-0.00581896,-0.01546002,0.00163144,0.00030395,0.001783
 93,0.00244285,-0.00065416,0.00102401,0.10062628,0.04990729,0.26571483,
 -0.04717720,0.01609846,-0.00724939,-0.00371086,0.00878143,-0.01234802,
 0.00420312,-0.02410128,0.01587468,-0.00672856,-0.00359074,0.00320193,-
 0.00008213,-0.00285910,0.00138722,-0.00045646,0.00215911,-0.00066870,0
 .00053915,0.00132191,-0.00068262,0.00115875,0.00005168,-0.00059884,0.0
 5279629,0.01210457,-0.24001799,0.12784941,-0.00263574,0.00690531,-0.00
 897795,0.00098137,-0.00865295,0.00551092,-0.00285702,-0.00025731,0.000
 73513,0.00000741,-0.00112429,0.00017143,0.00166073,-0.00002762,-0.0012
 2270,-0.00007362,0.00051717,0.00003314,-0.00022370,0.00008116,-0.00022
 559,-0.01007624,0.25840505,-0.00192015,0.13039475,-0.12495974,-0.00908
 578,0.01174844,-0.02018649,0.00062524,0.00529814,-0.00310785,0.0008306
 1,0.00040940,0.00113173,0.00056292,0.00272559,-0.00106956,-0.00128246,
 -0.00128839,0.00084729,-0.00055860,-0.00088374,0.00079459,0.00039369,-
 0.00009383,0.00037642,0.00965906,-0.13483051,0.13404558,-0.11960713,0.
 09728193,0.07144903,0.00687355,-0.01120415,-0.00748035,-0.01939424,0.0
 2210694,0.01463514,0.00276350,0.00010977,-0.00168362,-0.00296481,-0.00
 532686,-0.00089158,0.00036510,0.00074801,0.00042163,-0.00171386,0.0004
 8155,0.00233902,0.00123054,0.00032941,-0.00040711,-0.00090809,0.000655
 57,0.00050029,0.13570837,0.10012588,-0.17329842,-0.08973508,0.00133315
 ,-0.00352594,-0.00283848,-0.00975758,0.00746971,0.00755433,0.00067997,
 0.00169033,-0.00074418,-0.00193277,-0.00339031,0.00061812,0.00106142,0
 .00127501,-0.00053610,-0.00061394,0.00068849,0.00092951,0.00107964,0.0
 0048545,0.00007021,0.01345178,-0.01617973,-0.01411544,-0.10424326,0.18
 383466,0.07479800,-0.09129412,-0.11049000,0.00818168,-0.01674039,-0.01
 383030,0.00496384,-0.00393207,-0.00297020,-0.00132777,-0.00001558,0.00
 067497,0.00046721,0.00147198,0.00114475,-0.00058384,-0.00026279,0.0002
 5979,-0.00009774,-0.00000893,-0.00025728,-0.00023847,0.00051794,0.0006
 5704,-0.00944282,0.01125674,0.01090708,-0.07486165,0.09960790,0.119456
 98,-0.00030471,0.00119867,-0.00042901,0.00026590,0.00034462,-0.0001460
 0,-0.00553998,-0.00505231,0.00711838,-0.00057653,-0.00609418,-0.005746
 72,0.01230791,-0.03130827,-0.00573241,-0.00474990,-0.00468284,0.011143
 28,-0.05618456,0.09389158,0.00651201,0.00020139,0.00013783,-0.00073745
 ,0.00062017,0.00033080,-0.00020907,-0.00034731,-0.00014169,0.00019446,
 0.05288956,0.00052655,-0.00305168,0.00067319,0.00020173,-0.00015651,-0
 .00001736,0.00132141,0.00625995,-0.00569600,-0.00683527,0.00000990,0.0
 0336356,-0.01769668,-0.03522053,0.02326753,0.00371321,0.00833042,-0.00
 309404,0.06926875,-0.38624684,0.03660692,0.00048102,-0.00074964,0.0000
 5048,-0.00086370,-0.00054897,0.00030662,0.00094472,0.00042501,-0.00027
 147,-0.05006087,0.41214553,-0.00000257,0.00087032,0.00029562,-0.000023
 47,-0.00022095,-0.00023416,0.00442375,0.00147423,-0.00509261,-0.003858
 54,0.00125653,-0.00510494,-0.00743709,0.03556517,-0.00507216,0.0085432
 9,0.00313465,-0.00083774,0.01246552,0.01468176,-0.03647938,0.00045147,
 -0.00030249,-0.00048354,-0.00019962,-0.00008501,0.00003524,-0.00022773
 ,-0.00012996,-0.00003286,-0.01093433,-0.05688315,0.05105677,0.00028017
 ,-0.00069954,0.00167562,-0.00104334,0.00025802,0.00118136,0.00148722,-
 0.00012425,0.00525161,-0.22245217,-0.00864115,-0.21794304,0.00071345,0
 .00200152,-0.00265024,-0.00049012,-0.00099028,0.00059599,-0.00023731,0
 .00015675,0.00247847,0.00012800,-0.00125441,0.00152958,-0.00015383,-0.
 00000664,-0.00046645,-0.00012632,-0.00003568,0.00010606,-0.00299917,0.
 00022492,-0.00292390,0.22206723,0.00014830,0.00071629,0.00179956,0.000
 98465,0.00093409,-0.00098809,0.02414203,0.00170048,0.02360099,-0.00591
 076,-0.06419460,-0.01183500,0.00004961,0.00033632,0.00216143,-0.000225
 73,-0.00122420,-0.00064676,0.00017303,-0.00062616,-0.00061477,-0.00017
 476,-0.00445001,0.00284369,0.00001195,0.00002734,-0.00028484,-0.000270
 74,-0.00004328,-0.00013868,0.00014395,0.00067679,0.00073455,0.00665408
 ,0.06622229,-0.00152559,-0.00234788,0.00080449,0.00139560,0.00018557,0
 .00008952,-0.01533144,0.00558354,-0.02079779,-0.17133459,-0.01287999,-
 0.20487030,0.00005374,-0.00016475,0.00013309,0.00020975,-0.00012213,-0
 .00002934,-0.00013695,-0.00166138,-0.00122973,-0.00041677,0.00430879,-
 0.00096014,-0.00078157,-0.00061461,-0.00006168,0.00043212,0.00012672,-
 0.00056558,0.00057187,0.00162997,0.00253313,0.20267576,0.00643678,0.23
 887581,0.00028051,-0.00163305,-0.00054771,-0.00080401,-0.00062684,0.00
 030794,-0.00484387,-0.00522044,0.00144821,-0.02762857,0.06789840,0.024
 25620,-0.00133035,0.00076233,0.00071174,-0.00000728,0.00228000,-0.0003
 1417,-0.00192054,0.00385335,-0.00098277,0.00036368,0.00085190,-0.00039
 026,-0.00029398,0.00009022,0.00043864,-0.00031552,-0.00004042,0.000451
 61,0.00424430,-0.00084161,-0.00013900,0.00216185,-0.02587521,-0.015437
 24,0.03012666,0.00012172,-0.00006789,-0.00064669,0.00000145,-0.0000594
 4,0.00013547,0.00712773,-0.02392969,-0.01675049,0.03362209,-0.30586524
 ,-0.16586507,-0.00275686,-0.00164171,0.00492292,0.00087927,-0.00204461
 ,-0.00080152,-0.00048416,0.00201935,-0.00072770,0.00020080,0.00232113,
 -0.00006413,0.00009058,0.00016943,0.00023968,-0.00064222,-0.00007070,0
 .00028938,0.00130122,-0.00164555,-0.00000584,0.00198035,0.00020499,0.0
 0003579,-0.04154660,0.33054396,-0.00073704,0.00123551,-0.00054158,-0.0
 0082472,-0.00061047,0.00012459,-0.00165063,0.02401142,0.01182548,0.003
 28140,-0.18413788,-0.17187113,0.00282398,0.00310900,-0.00341278,-0.001
 27034,0.00134236,0.00076368,0.00036746,-0.00130806,0.00120531,-0.00020
 744,0.00027306,0.00114336,0.00034905,0.00010131,-0.00027413,0.00034944
 ,-0.00016624,-0.00006139,-0.00164355,-0.00003604,-0.00059965,0.0090127
 4,-0.02311836,-0.01415134,-0.00984471,0.17921000,0.17594482,0.00698696
 ,-0.01022154,-0.00507779,-0.08969164,0.12035048,0.03292737,0.00127563,
 -0.00121160,0.00057325,-0.00111929,0.00009100,0.00000022,-0.00129107,-
 0.00218799,-0.00012016,-0.00011181,0.00129477,0.00024892,0.00034128,0.
 00078672,-0.00025350,0.00002563,0.00032543,0.00008766,0.00019362,0.000
 04229,0.00051205,-0.00156377,-0.00096649,-0.00261056,0.00017294,-0.000
 38418,-0.00013779,0.00066435,0.00014959,-0.00037472,-0.00003287,0.0001
 0463,-0.00000565,0.08415006,0.00262422,-0.00380011,-0.00285538,0.10648
 775,-0.16890238,-0.05853054,0.00089923,-0.00081670,0.00046999,-0.00071
 797,-0.00002973,0.00021494,-0.00057048,0.00059949,-0.00041062,0.000381
 89,-0.00049829,0.00038577,-0.00015653,-0.00011743,0.00027074,0.0001557
 3,0.00020432,0.00005134,-0.00047584,0.00070341,0.00037415,-0.00097066,
 0.00063971,-0.00047990,-0.00000852,-0.00022786,-0.00008981,0.00047631,
 -0.00028034,-0.00051641,0.00004797,0.00006598,0.00009438,-0.10817310,0
 .17245993,0.01199156,-0.02080199,-0.01029172,0.01607821,-0.04084564,-0
 .02957414,0.00065948,0.00100865,0.00110122,0.00034177,0.00001315,-0.00
 013368,-0.00056328,-0.00207326,0.00128248,0.00061804,0.00119445,-0.000
 24289,0.00004274,0.00048120,-0.00050940,0.00011926,0.00016762,-0.00001
 251,0.00149964,0.00029830,0.00152153,-0.00457462,-0.00064132,-0.004893
 01,0.00003853,0.00009979,0.00001628,-0.00052356,0.00004952,0.00022986,
 0.00004152,0.00002821,-0.00009523,-0.02576930,0.06102134,0.04160121\\-
 0.00000978,0.00001270,-0.00002414,0.00001068,0.00000241,0.00000785,0.0
 0000546,-0.00002647,0.00003217,-0.00002067,0.00002972,-0.00002421,-0.0
 0005921,-0.00005879,0.00008420,0.00000638,0.00003602,-0.00003019,0.000
 06131,0.00002917,-0.00004290,0.00000686,0.00000313,-0.00000599,-0.0000
 0825,-0.00000671,0.00000694,0.00000432,-0.00000325,0.00000400,-0.00001
 417,-0.00000239,-0.00000592,0.00001516,-0.00000949,-0.00000277,0.00000
 421,-0.00001209,-0.00000116,-0.00000230,0.00000605,0.00000213\\\@


 THE MOLECULE ALSO HAS A BODY.  WHEN THIS BODY IS HIT, THE MOLECULE
 FEELS HURT ALL OVER -- A. KITAIGORODSKI
 Job cpu time:       0 days  0 hours 46 minutes 50.0 seconds.
 Elapsed time:       0 days  0 hours  5 minutes 52.8 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:41:10 2021.
